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10 [AGLYSL01,10,10,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 2 1 5 1 6 1 8 1 0 0 0 0 -1.623400 1.696500 8.843100 1XA 0 0.33100 0.33100 AGLY C1 1
2 1 1 9 1 10 2 0 0 0 0 0 0 -1.543800 0.171000 8.896000 1XA 0 0.65900 0.65900 AGLY C2 2
43 8 1 0 0 0 0 0 0 0 0 0 0 -1.582700 1.764000 6.809400 1XA 0 0.36000 0.36000 AGLY H1 3
43 8 1 0 0 0 0 0 0 0 0 0 0 -0.127100 1.863000 7.473600 1XA 0 0.36000 0.36000 AGLY H3 4
41 1 1 0 0 0 0 0 0 0 0 0 0 -2.670700 1.998700 8.934300 1XA 0 0.00000 0.00000 AGLY H5 5
41 1 1 0 0 0 0 0 0 0 0 0 0 -1.046200 2.109200 9.675600 1XA 0 0.00000 0.00000 AGLY H6 6
42 9 1 0 0 0 0 0 0 0 0 0 0 -2.365500 0.328900 10.673200 1XA 0 0.50000 0.50000 AGLY H7 7
26 1 1 3 1 4 1 0 0 0 0 0 0 -1.081800 2.218200 7.578400 1XA 0 -0.99000 -0.99000 AGLY N1 8
16 2 1 7 1 0 0 0 0 0 0 0 0 -2.034400 -0.343700 10.047800 1XA 0 -0.65000 -0.65000 AGLY O5 9
15 2 2 0 0 0 0 0 0 0 0 0 0 -1.089300 -0.532600 8.004800 1XA 0 -0.57000 -0.57000 AGLY O6 10
15 [AMHTAR01,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 7 1 15 1 0 0 0 0 0 0 0 0 6.032900 4.150500 3.052100 1XA 0 -0.65000 -0.65000 CHGB O1 1
15 7 2 0 0 0 0 0 0 0 0 0 0 6.066300 6.345400 3.343400 1XA 0 -0.57000 -0.57000 CHGB O2 2
16 8 1 13 1 0 0 0 0 0 0 0 0 3.362800 6.580900 2.485800 1XA 0 -0.68000 -0.68000 CHGB O3 3
16 9 1 14 1 0 0 0 0 0 0 0 0 3.091700 4.769000 4.831000 1XA 0 -0.68000 -0.68000 CHGB O4 4
15 10 2 0 0 0 0 0 0 0 0 0 0 1.477900 4.596700 1.756100 1XA 0 -0.90000 -0.90000 CHGB O5 5
18 10 1 0 0 0 0 0 0 0 0 0 0 0.923200 3.651400 3.769600 1XA 0 -0.90000 -0.90000 CHGB O6 6
2 1 1 2 2 8 1 0 0 0 0 0 0 5.411400 5.355700 3.046700 1XA 0 0.65900 0.65900 CHGB C1 7
3 3 1 7 1 9 1 11 1 0 0 0 0 3.963700 5.282700 2.565900 1XA 0 0.34100 0.34100 CHGB C2 8
3 4 1 8 1 10 1 12 1 0 0 0 0 3.157400 4.330100 3.449400 1XA 0 0.17400 0.17400 CHGB C3 9
2 5 2 6 1 9 1 0 0 0 0 0 0 1.712400 4.162600 2.917600 1XA 0 0.90600 0.90600 CHGB C4 10
41 8 1 0 0 0 0 0 0 0 0 0 0 4.014100 4.906100 1.536200 1XA 0 0.00000 0.00000 CHGB H1 11
41 9 1 0 0 0 0 0 0 0 0 0 0 3.614600 3.334000 3.462000 1XA 0 0.00000 0.00000 CHGB H2 12
42 3 1 0 0 0 0 0 0 0 0 0 0 2.471500 6.396700 2.113000 1XA 0 0.40000 0.40000 CHGB H3 13
42 4 1 0 0 0 0 0 0 0 0 0 0 2.196200 4.458100 5.104700 1XA 0 0.40000 0.40000 CHGB H4 14
42 1 1 0 0 0 0 0 0 0 0 0 0 6.914400 4.382500 3.406800 1XA 0 0.50000 0.50000 CHGB H5 15
25 [AMPTRB10,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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2 1 1 4 2 3 1 0 0 0 0 0 0 -7.347300 -2.948100 16.474400 1XA 0 0.77100 0.77100 AMPT C2 2
25 2 1 17 1 16 1 0 0 0 0 0 0 -7.028000 -2.031400 17.449699 1XA 0 -0.90000 -0.90000 AMPT N2 3
25 2 2 5 1 0 0 0 0 0 0 0 0 -6.803000 -4.163500 16.553301 1XA 0 -0.62000 -0.62000 AMPT N3 4
2 4 1 7 2 6 1 0 0 0 0 0 0 -7.151000 -5.041400 15.593200 1XA 0 0.41000 0.41000 AMPT C4 5
25 5 1 19 1 18 1 0 0 0 0 0 0 -6.486100 -6.264900 15.629800 1XA 0 -0.90000 -0.90000 AMPT N4 6
2 5 2 14 1 8 1 0 0 0 0 0 0 -8.037300 -4.745900 14.549600 1XA 0 0.31000 0.31000 AMPT C41 7
25 7 1 9 2 0 0 0 0 0 0 0 0 -8.398800 -5.636400 13.589000 1XA 0 -0.62000 -0.62000 AMPT N5 8
2 8 2 11 1 10 1 0 0 0 0 0 0 -9.272300 -5.228700 12.632300 1XA 0 0.16650 0.16650 AMPT C6 9
3 9 1 22 1 21 1 20 1 0 0 0 0 -9.640700 -6.235100 11.582800 1XA 0 0.14350 0.14350 AMPT C61 10
2 9 1 13 2 12 1 0 0 0 0 0 0 -9.791400 -3.934700 12.641400 1XA 0 0.16650 0.16650 AMPT C7 11
3 11 1 25 1 24 1 23 1 0 0 0 0 -10.759200 -3.460500 11.596800 1XA 0 0.14350 0.14350 AMPT C71 12
25 11 2 14 1 0 0 0 0 0 0 0 0 -9.441700 -3.037200 13.605300 1XA 0 -0.62000 -0.62000 AMPT N8 13
2 1 2 7 1 13 1 0 0 0 0 0 0 -8.563000 -3.445800 14.557200 1XA 0 0.67100 0.67100 AMPT C81 14
43 1 1 0 0 0 0 0 0 0 0 0 0 -8.612500 -1.681800 15.517000 1XA 0 0.45700 0.45700 AMPT H1 15
43 3 1 0 0 0 0 0 0 0 0 0 0 -6.878800 -1.065300 17.187901 1XA 0 0.40000 0.40000 AMPT H21 16
43 3 1 0 0 0 0 0 0 0 0 0 0 -6.292400 -2.398700 18.054199 1XA 0 0.40000 0.40000 AMPT H22 17
43 6 1 0 0 0 0 0 0 0 0 0 0 -5.952800 -6.403600 16.482401 1XA 0 0.40000 0.40000 AMPT H41 18
43 6 1 0 0 0 0 0 0 0 0 0 0 -7.059300 -7.061200 15.359900 1XA 0 0.40000 0.40000 AMPT H42 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.717200 -6.430300 11.601800 1XA 0 0.00000 0.00000 AMPT H61 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.124100 -7.184500 11.758700 1XA 0 0.00000 0.00000 AMPT H62 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.352600 -5.875200 10.590500 1XA 0 0.00000 0.00000 AMPT H63 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.046100 -2.419800 11.780100 1XA 0 0.00000 0.00000 AMPT H71 23
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41 12 1 0 0 0 0 0 0 0 0 0 0 -10.304800 -3.513300 10.602800 1XA 0 0.00000 0.00000 AMPT H73 25
26 [ARGIND11,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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3 1 1 21 1 8 1 3 1 0 0 0 0 -7.870500 -3.861900 16.124701 1XA 0 0.16400 0.16400 ARGI C2 2
3 2 1 11 1 10 1 4 1 0 0 0 0 -7.358600 -3.441000 14.736100 1XA 0 0.00000 0.00000 ARGI C3 3
3 3 1 13 1 12 1 5 1 0 0 0 0 -7.572900 -4.415700 13.557900 1XA 0 0.00000 0.00000 ARGI C4 4
3 4 1 23 1 15 1 14 1 0 0 0 0 -8.886000 -4.225100 12.789000 1XA 0 0.32760 0.32760 ARGI C5 5
2 24 1 23 2 22 1 0 0 0 0 0 0 -11.250100 -4.162300 13.598800 1XA 0 1.20000 1.20000 ARGI C6 6
43 21 1 0 0 0 0 0 0 0 0 0 0 -7.964700 -5.879400 16.166599 1XA 0 0.36000 0.36000 ARGI H1 7
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.545600 -3.115900 16.859800 1XA 0 0.00000 0.00000 ARGI H3 8
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41 5 1 0 0 0 0 0 0 0 0 0 0 -8.845400 -4.798000 11.857100 1XA 0 0.00000 0.00000 ARGI H13 15
44 23 1 0 0 0 0 0 0 0 0 0 0 -9.856600 -5.305300 14.371900 1XA 0 0.45000 0.45000 ARGI H14 16
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43 22 1 0 0 0 0 0 0 0 0 0 0 -12.578900 -2.860400 12.763300 1XA 0 0.45000 0.45000 ARGI H16 18
43 24 1 0 0 0 0 0 0 0 0 0 0 -11.579300 -4.898900 15.416700 1XA 0 0.45000 0.45000 ARGI H17 19
43 24 1 0 0 0 0 0 0 0 0 0 0 -12.922200 -4.005500 14.789100 1XA 0 0.45000 0.45000 ARGI H18 20
26 2 1 7 1 9 1 0 0 0 0 0 0 -7.304600 -5.180000 16.532600 1XA 0 -0.99000 -0.99000 ARGI N1 21
25 6 1 17 1 18 1 0 0 0 0 0 0 -11.682300 -3.308700 12.664400 1XA 0 -0.96670 -0.96670 ARGI N2 22
31 5 1 6 2 16 1 0 0 0 0 0 0 -10.032400 -4.711200 13.546000 1XA 0 -0.84430 -0.84430 ARGI N3 23
25 6 1 19 1 20 1 0 0 0 0 0 0 -12.065800 -4.493300 14.597800 1XA 0 -0.96670 -0.96670 ARGI N4 24
15 1 2 0 0 0 0 0 0 0 0 0 0 -9.939200 -5.080400 16.032000 1XA 0 -0.90000 -0.90000 ARGI O1 25
18 1 1 0 0 0 0 0 0 0 0 0 0 -10.047500 -2.820800 16.112700 1XA 0 -0.90000 -0.90000 ARGI O3 26
6 [BAOXLM01,6,6,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 3 2 0 0 0 0 0 0 0 0 0 0 -8.447500 -5.593100 13.307600 1XA 0 -0.90000 -0.90000 CHGB O1 1
18 3 1 0 0 0 0 0 0 0 0 0 0 -9.354100 -5.593100 15.409600 1XA 0 -0.90000 -0.90000 CHGB O2 2
2 1 2 2 1 4 1 0 0 0 0 0 0 -8.900800 -5.013400 14.358600 1XA 0 0.80000 0.80000 CHGB C1 3
2 3 1 5 2 6 1 0 0 0 0 0 0 -8.900800 -3.454000 14.358600 1XA 0 0.80000 0.80000 CHGB C1F 4
15 4 2 0 0 0 0 0 0 0 0 0 0 -8.447500 -2.874300 13.307600 1XA 0 -0.90000 -0.90000 CHGB O1F 5
18 4 1 0 0 0 0 0 0 0 0 0 0 -9.354100 -2.874300 15.409600 1XA 0 -0.90000 -0.90000 CHGB O2F 6
24 [BBSPRT10,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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15 8 2 0 0 0 0 0 0 0 0 0 0 -9.129500 -4.150900 12.437900 1XA 0 -0.57000 -0.57000 BBSP O1 4
15 3 2 0 0 0 0 0 0 0 0 0 0 -7.895800 -2.561900 17.099501 1XA 0 -0.65000 -0.65000 BBSP O2 5
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25 3 1 17 1 9 1 0 0 0 0 0 0 -7.230400 -2.717100 14.676200 1XA 0 -0.86500 -0.86500 BBSP N1 7
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43 7 1 0 0 0 0 0 0 0 0 0 0 -6.425100 -3.046400 14.140700 1XA 0 0.42000 0.42000 BBSP H1 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.200800 -1.890400 14.611900 1XA 0 0.00000 0.00000 BBSP H2 18
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41 10 1 0 0 0 0 0 0 0 0 0 0 -8.323000 0.010600 13.347400 1XA 0 0.00000 0.00000 BBSP H32 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.139100 -6.095800 14.882100 1XA 0 0.15000 0.15000 BBSP H5 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.822100 -7.852100 14.453600 1XA 0 0.15000 0.15000 BBSP H6 22
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.843300 -5.441000 16.368299 1XA 0 0.15000 0.15000 BBSP H8 23
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.169800 -3.676000 16.801100 1XA 0 0.15000 0.15000 BBSP H9 24
24 [BEVJER10,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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2 1 1 8 2 14 1 0 0 0 0 0 0 -8.287000 -4.816800 13.934300 1XA 0 -0.03100 -0.03100 CHGB C2 2
2 1 2 4 1 6 1 0 0 0 0 0 0 -8.400600 -2.521300 12.680000 1XA 0 0.16100 0.16100 CHGB C3 3
1 3 1 5 3 0 0 0 0 0 0 0 0 -7.842000 -2.893800 11.418400 1XA 0 0.49210 0.49210 CHGB C4 4
24 4 3 0 0 0 0 0 0 0 0 0 0 -7.441000 -3.248700 10.390700 1XA 0 -0.55710 -0.55710 CHGB N5 5
1 3 1 7 3 0 0 0 0 0 0 0 0 -8.941900 -1.199000 12.707800 1XA 0 0.49210 0.49210 CHGB C6 6
24 6 3 0 0 0 0 0 0 0 0 0 0 -9.447600 -0.156800 12.743000 1XA 0 -0.55710 -0.55710 CHGB N7 7
2 2 2 9 1 11 1 0 0 0 0 0 0 -7.306100 -5.697300 13.613700 1XA 0 0.16100 0.16100 CHGB C8 8
1 8 1 10 3 0 0 0 0 0 0 0 0 -6.148300 -5.324800 12.863200 1XA 0 0.49210 0.49210 CHGB C9 9
24 9 3 0 0 0 0 0 0 0 0 0 0 -5.196600 -4.969900 12.305300 1XA 0 -0.55710 -0.55710 CHGB N10 10
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2 13 2 17 1 18 1 0 0 0 0 0 0 -9.367300 -2.521300 16.030001 1XA 0 0.16100 0.16100 CHGB C3B 15
2 14 2 19 1 20 1 0 0 0 0 0 0 -10.461800 -5.697300 15.096300 1XA 0 0.16100 0.16100 CHGB C8B 16
1 15 1 21 3 0 0 0 0 0 0 0 0 -9.925900 -2.893800 17.291599 1XA 0 0.49210 0.49210 CHGB C4B 17
1 15 1 22 3 0 0 0 0 0 0 0 0 -8.826000 -1.199000 16.002199 1XA 0 0.49210 0.49210 CHGB C6B 18
1 16 1 23 3 0 0 0 0 0 0 0 0 -11.619600 -5.324800 15.846800 1XA 0 0.49210 0.49210 CHGB C9B 19
1 16 1 24 3 0 0 0 0 0 0 0 0 -10.519700 -7.019600 14.557400 1XA 0 0.49210 0.49210 CHGB C11B 20
24 17 3 0 0 0 0 0 0 0 0 0 0 -10.326900 -3.248700 18.319300 1XA 0 -0.55710 -0.55710 CHGB N5B 21
24 18 3 0 0 0 0 0 0 0 0 0 0 -8.320300 -0.156800 15.967000 1XA 0 -0.55710 -0.55710 CHGB N7B 22
24 19 3 0 0 0 0 0 0 0 0 0 0 -12.571300 -4.969900 16.404699 1XA 0 -0.55710 -0.55710 CHGB N10B 23
24 20 3 0 0 0 0 0 0 0 0 0 0 -10.564700 -8.061800 14.052500 1XA 0 -0.55710 -0.55710 CHGB N12B 24
59 [BEWCUB,59,59,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 1 5 1 7 1 0 0 0 0 0 0 -9.460100 -4.542500 14.521300 1XA 0 -0.39400 -0.39400 BEWC N1 1
2 1 1 3 2 24 1 0 0 0 0 0 0 -8.147300 -4.446700 14.082800 1XA 0 0.12340 0.12340 BEWC C2 2
2 2 2 4 1 9 1 0 0 0 0 0 0 -7.961800 -5.083000 12.915900 1XA 0 -0.08220 -0.08220 BEWC C3 3
3 3 1 5 1 37 1 38 1 0 0 0 0 -9.245500 -5.672200 12.410700 1XA 0 0.13820 0.13820 BEWC C4 4
3 1 1 4 1 6 1 39 1 0 0 0 0 -10.204000 -5.403700 13.571000 1XA 0 0.36300 0.36300 BEWC C5 5
2 5 1 7 1 8 2 0 0 0 0 0 0 -11.203300 -4.268800 13.489800 1XA 0 -0.24000 -0.24000 BEWC C6 6
2 1 1 6 1 23 2 0 0 0 0 0 0 -10.312900 -3.483900 14.348600 1XA 0 0.70100 0.70100 BEWC C7 7
2 6 2 17 1 18 1 0 0 0 0 0 0 -12.386000 -4.045000 12.886900 1XA 0 -0.24540 -0.24540 BEWC C8 8
49 3 1 10 1 16 2 0 0 0 0 0 0 -6.438700 -5.171500 12.025900 1XA 0 0.38800 0.38800 BEWC S9 9
2 9 1 11 2 40 1 0 0 0 0 0 0 -5.554400 -6.343100 13.055800 1XA 0 -0.09400 -0.09400 BEWC C10 10
2 10 2 12 1 41 1 0 0 0 0 0 0 -5.914700 -7.633000 13.050600 1XA 0 -0.04100 -0.04100 BEWC C11 11
25 11 1 13 1 42 1 0 0 0 0 0 0 -5.288000 -8.577800 13.827600 1XA 0 -0.53900 -0.53900 BEWC N12 12
2 12 1 14 2 15 1 0 0 0 0 0 0 -5.698800 -9.898100 13.883700 1XA 0 0.56900 0.56900 BEWC C13 13
15 13 2 0 0 0 0 0 0 0 0 0 0 -6.687500 -10.345100 13.309300 1XA 0 -0.57000 -0.57000 BEWC O14 14
3 13 1 43 1 44 1 45 1 0 0 0 0 -4.836500 -10.760900 14.767000 1XA 0 0.06100 0.06100 BEWC C15 15
15 9 2 0 0 0 0 0 0 0 0 0 0 -6.778600 -5.909300 10.764400 1XA 0 -0.50000 -0.50000 BEWC O16 16
3 8 1 46 1 47 1 48 1 0 0 0 0 -13.135000 -2.742100 13.026900 1XA 0 0.13820 0.13820 BEWC C17 17
3 8 1 19 1 49 1 50 1 0 0 0 0 -13.109100 -5.048000 12.007200 1XA 0 0.41820 0.41820 BEWC C18 18
16 18 1 20 1 0 0 0 0 0 0 0 0 -12.338100 -6.244100 11.853200 1XA 0 -0.43000 -0.43000 BEWC O19 19
2 19 1 21 2 22 1 0 0 0 0 0 0 -12.933500 -7.178200 11.061900 1XA 0 0.65900 0.65900 BEWC C20 20
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15 7 2 0 0 0 0 0 0 0 0 0 0 -10.270000 -2.323100 14.695300 1XA 0 -0.57000 -0.57000 BEWC O23 23
2 2 1 25 2 26 1 0 0 0 0 0 0 -7.126600 -3.690400 14.864200 1XA 0 0.70560 0.70560 BEWC C24 24
15 24 2 0 0 0 0 0 0 0 0 0 0 -5.963900 -3.541200 14.518200 1XA 0 -0.57000 -0.57000 BEWC O25 25
16 24 1 27 1 0 0 0 0 0 0 0 0 -7.669900 -3.232600 16.018499 1XA 0 -0.43000 -0.43000 BEWC O26 26
3 26 1 28 1 54 1 55 1 0 0 0 0 -6.810200 -2.424300 16.830099 1XA 0 0.42350 0.42350 BEWC C27 27
2 27 1 29 2 33 1 0 0 0 0 0 0 -6.819300 -0.989600 16.359699 1XA 0 -0.14350 -0.14350 BEWC C28 28
2 28 2 30 1 58 1 0 0 0 0 0 0 -5.622800 -0.347800 16.007401 1XA 0 -0.15000 -0.15000 BEWC C29 29
2 29 1 31 2 59 1 0 0 0 0 0 0 -5.630800 0.979500 15.570600 1XA 0 -0.15000 -0.15000 BEWC C30 30
2 30 2 32 1 34 1 0 0 0 0 0 0 -6.845600 1.671400 15.484400 1XA 0 0.13300 0.13300 BEWC C31 31
2 31 1 33 2 56 1 0 0 0 0 0 0 -8.047500 1.044100 15.831200 1XA 0 -0.15000 -0.15000 BEWC C32 32
2 28 1 32 2 57 1 0 0 0 0 0 0 -8.028300 -0.282300 16.268499 1XA 0 -0.15000 -0.15000 BEWC C33 33
31 31 1 35 1 36 2 0 0 0 0 0 0 -6.857900 3.065100 15.024200 1XA 0 0.90700 0.90700 BEWC N34 34
18 34 1 0 0 0 0 0 0 0 0 0 0 -5.774600 3.576400 14.704500 1XA 0 -0.52000 -0.52000 BEWC O35 35
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15 16 2 0 0 0 0 0 0 0 0 0 0 -11.744300 -2.887300 12.523600 1XA 0 -0.57000 -0.57000 UNCH O2 3
16 16 1 17 1 0 0 0 0 0 0 0 0 -10.164900 -2.354500 14.114800 1XA 0 -0.43000 -0.43000 UNCH O3 4
25 6 1 9 1 21 1 0 0 0 0 0 0 -9.957400 -5.118900 14.602200 1XA 0 -0.57900 -0.57900 UNCH N1 5
3 5 1 7 1 8 1 16 1 0 0 0 0 -11.222900 -4.467400 14.267200 1XA 0 0.14900 0.14900 UNCH C1 6
3 1 1 6 1 8 1 20 1 0 0 0 0 -12.349600 -4.592300 15.281900 1XA 0 0.12730 0.12730 UNCH C2 7
3 6 1 7 1 18 1 19 1 0 0 0 0 -12.447900 -5.331300 13.991300 1XA 0 -0.20000 -0.20000 UNCH C3 8
2 2 2 5 1 10 1 0 0 0 0 0 0 -9.278400 -5.867800 13.659400 1XA 0 0.54380 0.54380 UNCH C4 9
2 9 1 11 2 15 1 0 0 0 0 0 0 -7.894300 -6.279900 14.022100 1XA 0 0.08620 0.08620 UNCH C5 10
2 10 2 12 1 22 1 0 0 0 0 0 0 -6.976500 -6.506600 12.988700 1XA 0 -0.15000 -0.15000 UNCH C6 11
2 11 1 13 2 23 1 0 0 0 0 0 0 -5.667600 -6.890900 13.284100 1XA 0 -0.15000 -0.15000 UNCH C7 12
2 12 2 14 1 24 1 0 0 0 0 0 0 -5.273500 -7.059000 14.610900 1XA 0 -0.15000 -0.15000 UNCH C8 13
2 13 1 15 2 25 1 0 0 0 0 0 0 -6.187500 -6.851300 15.644100 1XA 0 -0.15000 -0.15000 UNCH C9 14
2 10 1 14 2 26 1 0 0 0 0 0 0 -7.498500 -6.465700 15.353600 1XA 0 -0.15000 -0.15000 UNCH C10 15
2 3 2 4 1 6 1 0 0 0 0 0 0 -11.089700 -3.163600 13.519100 1XA 0 0.72000 0.72000 UNCH C11 16
3 4 1 27 1 28 1 29 1 0 0 0 0 -10.007000 -1.096800 13.458900 1XA 0 0.28000 0.28000 UNCH C12 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -12.320600 -6.407200 14.001600 1XA 0 0.10000 0.10000 UNCH H1 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -13.151900 -4.989300 13.240400 1XA 0 0.10000 0.10000 UNCH H2 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -12.176800 -5.168500 16.181801 1XA 0 0.10000 0.10000 UNCH H3 20
43 5 1 0 0 0 0 0 0 0 0 0 0 -9.402000 -4.649500 15.309400 1XA 0 0.37000 0.37000 UNCH H4 21
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.279500 -6.382900 11.950400 1XA 0 0.15000 0.15000 UNCH H5 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -4.958100 -7.063100 12.478200 1XA 0 0.15000 0.15000 UNCH H6 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -4.254500 -7.362900 14.839100 1XA 0 0.15000 0.15000 UNCH H7 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.879300 -7.001000 16.676300 1XA 0 0.15000 0.15000 UNCH H8 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.199700 -6.344100 16.173901 1XA 0 0.15000 0.15000 UNCH H9 26
41 17 1 0 0 0 0 0 0 0 0 0 0 -10.946100 -0.534700 13.474800 1XA 0 0.00000 0.00000 UNCH H10 27
41 17 1 0 0 0 0 0 0 0 0 0 0 -9.252200 -0.523200 14.004000 1XA 0 0.00000 0.00000 UNCH H11 28
41 17 1 0 0 0 0 0 0 0 0 0 0 -9.656800 -1.240400 12.431900 1XA 0 0.00000 0.00000 UNCH H12 29
32 [CINVIE,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 12 2 0 0 0 0 0 0 0 0 0 0 -10.228000 -6.591500 15.637100 1XA 0 -0.57000 -0.57000 UNCH O1 1
16 13 1 22 1 0 0 0 0 0 0 0 0 -9.503000 -7.041100 13.060200 1XA 0 -0.68000 -0.68000 UNCH O2 2
18 9 1 0 0 0 0 0 0 0 0 0 0 -11.815900 -4.706600 13.123300 1XA 0 -0.52000 -0.52000 UNCH O3 3
15 9 2 0 0 0 0 0 0 0 0 0 0 -11.163600 -5.128800 11.066700 1XA 0 -0.52000 -0.52000 UNCH O4 4
18 10 1 0 0 0 0 0 0 0 0 0 0 -9.944900 -2.222600 11.189300 1XA 0 -0.52000 -0.52000 UNCH O5 5
15 10 2 0 0 0 0 0 0 0 0 0 0 -11.000200 -1.505100 12.979300 1XA 0 -0.52000 -0.52000 UNCH O6 6
18 11 1 0 0 0 0 0 0 0 0 0 0 -11.313000 -3.277400 17.116501 1XA 0 -0.52000 -0.52000 UNCH O7 7
15 11 2 0 0 0 0 0 0 0 0 0 0 -9.601100 -4.530500 17.708599 1XA 0 -0.52000 -0.52000 UNCH O8 8
31 3 1 4 2 14 1 0 0 0 0 0 0 -10.952700 -4.853000 12.250800 1XA 0 0.79980 0.79980 UNCH N1 9
31 5 1 6 2 15 1 0 0 0 0 0 0 -10.178700 -2.228500 12.404800 1XA 0 0.79980 0.79980 UNCH N2 10
31 7 1 8 2 17 1 0 0 0 0 0 0 -10.352300 -4.016300 16.872200 1XA 0 0.83560 0.83560 UNCH N3 11
2 1 2 13 1 17 1 0 0 0 0 0 0 -9.851700 -5.607300 15.005800 1XA 0 0.49460 0.49460 UNCH C1 12
3 2 1 12 1 14 1 21 1 0 0 0 0 -9.152000 -5.782600 13.646200 1XA 0 0.34100 0.34100 UNCH C2 13
3 9 1 13 1 15 1 23 1 0 0 0 0 -9.506400 -4.641700 12.668300 1XA 0 0.24020 0.24020 UNCH C3 14
3 10 1 14 1 16 1 18 1 0 0 0 0 -9.325500 -3.215400 13.267500 1XA 0 0.47340 0.47340 UNCH C4 15
2 15 1 17 2 24 1 0 0 0 0 0 0 -9.776400 -3.139300 14.730100 1XA 0 -0.28820 -0.28820 UNCH C5 16
2 11 1 12 1 16 2 0 0 0 0 0 0 -10.011200 -4.222700 15.490600 1XA 0 0.21880 0.21880 UNCH C6 17
3 15 1 19 1 20 1 25 1 0 0 0 0 -7.863100 -2.735600 13.074000 1XA 0 -0.19500 -0.19500 UNCH C7 18
3 18 1 20 1 26 1 27 1 0 0 0 0 -7.429100 -1.351100 13.521700 1XA 0 -0.20000 -0.20000 UNCH C8 19
3 18 1 19 1 28 1 29 1 0 0 0 0 -6.854800 -2.560200 14.195800 1XA 0 -0.20000 -0.20000 UNCH C9 20
3 13 1 30 1 31 1 32 1 0 0 0 0 -7.645600 -5.890700 13.914400 1XA 0 0.00000 0.00000 UNCH C10 21
42 2 1 0 0 0 0 0 0 0 0 0 0 -9.648000 -7.680500 13.791800 1XA 0 0.40000 0.40000 UNCH H2 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.934900 -4.761400 11.737200 1XA 0 0.00000 0.00000 UNCH H3 23
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.891100 -2.143000 15.162200 1XA 0 0.15000 0.15000 UNCH H5 24
41 18 1 0 0 0 0 0 0 0 0 0 0 -7.469500 -3.035200 12.102400 1XA 0 0.10000 0.10000 UNCH H7 25
41 19 1 0 0 0 0 0 0 0 0 0 0 -8.104900 -0.723300 14.093500 1XA 0 0.10000 0.10000 UNCH H81 26
41 19 1 0 0 0 0 0 0 0 0 0 0 -6.781600 -0.782800 12.859300 1XA 0 0.10000 0.10000 UNCH H82 27
41 20 1 0 0 0 0 0 0 0 0 0 0 -5.815000 -2.799900 13.988500 1XA 0 0.10000 0.10000 UNCH H91 28
41 20 1 0 0 0 0 0 0 0 0 0 0 -7.124200 -2.718200 15.233900 1XA 0 0.10000 0.10000 UNCH H92 29
41 21 1 0 0 0 0 0 0 0 0 0 0 -7.406500 -6.850100 14.390700 1XA 0 0.00000 0.00000 UNCH H101 30
41 21 1 0 0 0 0 0 0 0 0 0 0 -7.274900 -5.111000 14.581200 1XA 0 0.00000 0.00000 UNCH H102 31
41 21 1 0 0 0 0 0 0 0 0 0 0 -7.076500 -5.861200 12.978700 1XA 0 0.00000 0.00000 UNCH H103 32
26 [CIPVOM,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 8 1 2 2 0 0 0 0 0 0 0 0 -9.080100 -5.142200 14.102600 1XA 0 -0.12600 -0.12600 CIPV N11 1
25 1 2 3 1 0 0 0 0 0 0 0 0 -8.729500 -6.309600 14.488500 1XA 0 -0.06200 -0.06200 CIPV N21 2
26 2 1 9 1 4 1 0 0 0 0 0 0 -7.943800 -6.187300 15.647500 1XA 0 -0.37810 -0.37810 CIPV N31 3
25 3 1 8 1 5 1 0 0 0 0 0 0 -7.753200 -4.872800 15.824600 1XA 0 0.70960 0.70960 CIPV N41 4
25 4 1 6 2 0 0 0 0 0 0 0 0 -7.093100 -4.120900 16.691601 1XA 0 -0.70680 -0.70680 CIPV N51 5
2 5 2 10 1 7 1 0 0 0 0 0 0 -7.417400 -2.877900 16.275200 1XA 0 0.10780 0.10780 CIPV C61 6
2 6 1 12 1 8 2 0 0 0 0 0 0 -8.296900 -2.894100 15.132600 1XA 0 -0.08600 -0.08600 CIPV C71 7
2 1 1 4 1 7 2 0 0 0 0 0 0 -8.472500 -4.234700 14.897900 1XA 0 -0.02560 -0.02560 CIPV C711 8
3 3 1 18 1 17 1 16 1 0 0 0 0 -6.886300 -7.148300 15.818600 1XA 0 0.30010 0.30010 CIPV C311 9
3 6 1 21 1 20 1 19 1 0 0 0 0 -6.877200 -1.690200 16.987000 1XA 0 0.18100 0.18100 CIPV C611 10
15 12 2 0 0 0 0 0 0 0 0 0 0 -8.634500 -0.612200 14.703700 1XA 0 -0.57000 -0.57000 CIPV O721 11
2 7 1 11 2 13 1 0 0 0 0 0 0 -8.859600 -1.779500 14.408400 1XA 0 0.80600 0.80600 CIPV C731 12
16 12 1 14 1 0 0 0 0 0 0 0 0 -9.656400 -2.168200 13.373200 1XA 0 -0.43000 -0.43000 CIPV O741 13
3 13 1 23 1 22 1 15 1 0 0 0 0 -10.235900 -1.090000 12.630400 1XA 0 0.28000 0.28000 CIPV C751 14
3 14 1 26 1 25 1 24 1 0 0 0 0 -11.088000 -1.682300 11.525000 1XA 0 0.00000 0.00000 CIPV C761 15
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.117700 -6.990900 15.056200 1XA 0 0.00000 0.00000 CIPV H311 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.300500 -8.156100 15.724200 1XA 0 0.00000 0.00000 CIPV H321 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.450600 -7.035400 16.815399 1XA 0 0.00000 0.00000 CIPV H331 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.284000 -1.073600 16.304501 1XA 0 0.00000 0.00000 CIPV H611 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.693700 -1.081700 17.388100 1XA 0 0.00000 0.00000 CIPV H621 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.233000 -1.982300 17.822901 1XA 0 0.00000 0.00000 CIPV H631 21
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.860300 -0.478700 13.291500 1XA 0 0.00000 0.00000 CIPV H751 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -9.442600 -0.472100 12.195200 1XA 0 0.00000 0.00000 CIPV H752 23
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.873300 -2.320400 11.943600 1XA 0 0.00000 0.00000 CIPV H761 24
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.554200 -0.894400 10.926900 1XA 0 0.00000 0.00000 CIPV H762 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.481600 -2.313900 10.867400 1XA 0 0.00000 0.00000 CIPV H763 26
18 [CIPYAB10,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 1 3 1 4 2 0 0 0 0 0 0 -9.207900 -4.772100 14.208800 1XA 0 0.00000 0.00000 CHGB C1 1
2 1 1 3 1 5 2 0 0 0 0 0 0 -7.941100 -4.251900 14.494700 1XA 0 0.00000 0.00000 CHGB C2 2
2 1 1 2 1 6 2 0 0 0 0 0 0 -9.032600 -3.390500 14.340800 1XA 0 0.00000 0.00000 CHGB C3 3
2 1 2 7 1 8 1 0 0 0 0 0 0 -9.994500 -5.809400 13.980900 1XA 0 0.13000 0.13000 CHGB C4 4
2 2 2 9 1 10 1 0 0 0 0 0 0 -6.654800 -4.438100 14.734600 1XA 0 0.13000 0.13000 CHGB C5 5
2 3 2 11 1 12 1 0 0 0 0 0 0 -9.532300 -2.167000 14.328900 1XA 0 0.13000 0.13000 CHGB C6 6
1 4 1 13 3 0 0 0 0 0 0 0 0 -11.377500 -5.624100 13.722000 1XA 0 0.49210 0.49210 CHGB C7 7
1 4 1 14 3 0 0 0 0 0 0 0 0 -9.471200 -7.128600 13.990700 1XA 0 0.49210 0.49210 CHGB C8 8
1 5 1 15 3 0 0 0 0 0 0 0 0 -6.105000 -5.746300 14.750400 1XA 0 0.49210 0.49210 CHGB C9 9
1 5 1 16 3 0 0 0 0 0 0 0 0 -5.798800 -3.333300 14.980900 1XA 0 0.49210 0.49210 CHGB C10 10
1 6 1 17 3 0 0 0 0 0 0 0 0 -8.699100 -1.044100 14.572000 1XA 0 0.49210 0.49210 CHGB C11 11
1 6 1 18 3 0 0 0 0 0 0 0 0 -10.911600 -1.952600 14.072700 1XA 0 0.49210 0.49210 CHGB C12 12
24 7 3 0 0 0 0 0 0 0 0 0 0 -12.505100 -5.459800 13.511700 1XA 0 -0.55710 -0.55710 CHGB N1 13
24 8 3 0 0 0 0 0 0 0 0 0 0 -9.032200 -8.200900 14.001400 1XA 0 -0.55710 -0.55710 CHGB N2 14
24 9 3 0 0 0 0 0 0 0 0 0 0 -5.667800 -6.819400 14.760600 1XA 0 -0.55710 -0.55710 CHGB N3 15
24 10 3 0 0 0 0 0 0 0 0 0 0 -5.109900 -2.423100 15.180600 1XA 0 -0.55710 -0.55710 CHGB N4 16
24 11 3 0 0 0 0 0 0 0 0 0 0 -8.008600 -0.135300 14.772000 1XA 0 -0.55710 -0.55710 CHGB N5 17
24 12 3 0 0 0 0 0 0 0 0 0 0 -12.039500 -1.790500 13.862300 1XA 0 -0.55710 -0.55710 CHGB N6 18
14 [CISMOG,14,14,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 3 1 0 0 0 0 0 0 0 0 -11.819500 -5.916610 13.641000 1XA 0 0.44140 0.44140 UNCH S1 1
25 1 1 4 2 0 0 0 0 0 0 0 0 -10.301500 -6.518670 14.010200 1XA 0 -0.50950 -0.50950 UNCH N1 2
25 1 1 5 2 0 0 0 0 0 0 0 0 -11.524800 -4.268220 13.712700 1XA 0 -0.50950 -0.50950 UNCH N2 3
2 2 2 5 1 8 1 0 0 0 0 0 0 -9.585020 -5.417440 14.184500 1XA 0 0.28880 0.28880 UNCH C1 4
2 3 2 4 1 6 1 0 0 0 0 0 0 -10.224300 -4.114930 14.029000 1XA 0 0.28880 0.28880 UNCH C2 5
2 5 1 7 1 9 2 0 0 0 0 0 0 -9.566820 -2.864770 14.189000 1XA 0 -0.15000 -0.15000 UNCH C3 6
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.112900 -1.935860 14.056200 1XA 0 0.15000 0.15000 UNCH H1 7
2 4 1 10 2 11 1 0 0 0 0 0 0 -8.182870 -5.417440 14.525600 1XA 0 0.28880 0.28880 UNCH C1B 8
2 6 2 11 1 12 1 0 0 0 0 0 0 -8.201090 -2.864770 14.521200 1XA 0 -0.15000 -0.15000 UNCH C3B 9
25 8 2 13 1 0 0 0 0 0 0 0 0 -7.466430 -6.518670 14.699800 1XA 0 -0.50950 -0.50950 UNCH N1B 10
2 8 1 9 1 14 2 0 0 0 0 0 0 -7.543620 -4.114940 14.681100 1XA 0 0.28880 0.28880 UNCH C2B 11
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.654980 -1.935860 14.654100 1XA 0 0.15000 0.15000 UNCH H1B 12
49 10 1 14 1 0 0 0 0 0 0 0 0 -5.948400 -5.916620 15.069100 1XA 0 0.44140 0.44140 UNCH S1B 13
25 11 2 13 1 0 0 0 0 0 0 0 0 -6.243150 -4.268230 14.997400 1XA 0 -0.50950 -0.50950 UNCH N2B 14
24 [CISPOJ,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 6 1 21 1 0 0 0 0 0 0 -8.794400 -3.264600 14.004900 1XA 0 -0.15000 -0.15000 CISP C1 1
2 1 2 3 1 13 1 0 0 0 0 0 0 -8.961100 -4.641300 14.261500 1XA 0 -0.15160 -0.15160 CISP C2 2
2 2 1 4 2 7 1 0 0 0 0 0 0 -8.347400 -5.626100 13.480900 1XA 0 0.00000 0.00000 CISP C3 3
2 3 2 5 1 15 1 0 0 0 0 0 0 -7.535300 -5.211400 12.402600 1XA 0 0.13300 0.13300 CISP C4 4
2 4 1 6 2 22 1 0 0 0 0 0 0 -7.343300 -3.849700 12.120200 1XA 0 -0.15000 -0.15000 CISP C5 5
2 1 1 5 2 16 1 0 0 0 0 0 0 -7.975000 -2.893700 12.921800 1XA 0 0.13300 0.13300 CISP C6 6
2 3 1 14 2 23 1 0 0 0 0 0 0 -8.759600 -6.843600 14.071100 1XA 0 0.13880 0.13880 CISP C7 7
2 9 2 12 1 13 1 0 0 0 0 0 0 -10.475700 -4.846100 16.247101 1XA 0 0.11050 0.11050 CISP C8 8
25 8 2 10 1 0 0 0 0 0 0 0 0 -10.734300 -3.591600 16.534901 1XA 0 -0.33810 -0.33810 CISP N1 9
25 9 1 11 2 0 0 0 0 0 0 0 0 -11.570700 -3.637600 17.628901 1XA 0 0.00000 0.00000 CISP N2 10
25 10 2 12 1 0 0 0 0 0 0 0 0 -11.813500 -4.891900 17.995300 1XA 0 -0.41800 -0.41800 CISP N3 11
25 8 1 11 1 24 1 0 0 0 0 0 0 -11.126600 -5.649500 17.128099 1XA 0 0.29960 0.29960 CISP N4 12
25 2 1 8 1 14 1 0 0 0 0 0 0 -9.682200 -5.323100 15.228700 1XA 0 0.64560 0.64560 CISP N5 13
25 7 2 13 1 0 0 0 0 0 0 0 0 -9.559600 -6.668700 15.124200 1XA 0 -0.70680 -0.70680 CISP N6 14
31 4 1 17 1 18 2 0 0 0 0 0 0 -6.876600 -6.220600 11.580100 1XA 0 0.90700 0.90700 CISP N7 15
31 6 1 19 1 20 2 0 0 0 0 0 0 -7.780700 -1.464800 12.625900 1XA 0 0.90700 0.90700 CISP N8 16
18 15 1 0 0 0 0 0 0 0 0 0 0 -7.404000 -7.337100 11.500500 1XA 0 -0.52000 -0.52000 CISP O1 17
15 15 2 0 0 0 0 0 0 0 0 0 0 -5.830700 -5.887800 11.008500 1XA 0 -0.52000 -0.52000 CISP O2 18
18 16 1 0 0 0 0 0 0 0 0 0 0 -7.180200 -1.174900 11.582600 1XA 0 -0.52000 -0.52000 CISP O3 19
15 16 2 0 0 0 0 0 0 0 0 0 0 -8.229000 -0.643700 13.435800 1XA 0 -0.52000 -0.52000 CISP O4 20
41 1 1 0 0 0 0 0 0 0 0 0 0 -9.286200 -2.519100 14.628900 1XA 0 0.15000 0.15000 CISP H1 21
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.710100 -3.547900 11.286000 1XA 0 0.15000 0.15000 CISP H5 22
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.508500 -7.856800 13.775600 1XA 0 0.15000 0.15000 CISP H7 23
43 12 1 0 0 0 0 0 0 0 0 0 0 -11.142600 -6.661300 17.187799 1XA 0 0.27000 0.27000 CISP H4 24
18 [CITDIS,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 10 1 12 1 0 0 0 0 0 0 -9.059100 -4.511900 14.363100 1XA 0 0.08250 0.08250 UNCH C1 1
2 1 2 3 1 4 1 0 0 0 0 0 0 -7.736600 -4.047200 14.300800 1XA 0 0.17700 0.17700 UNCH C2 2
57 2 1 0 0 0 0 0 0 0 0 0 0 -7.176000 -2.904900 15.477900 1XA 0 -0.17700 -0.17700 UNCH CL2 3
2 2 1 5 1 6 2 0 0 0 0 0 0 -6.893800 -4.529500 13.290900 1XA 0 0.17700 0.17700 UNCH C3 4
57 4 1 0 0 0 0 0 0 0 0 0 0 -5.251700 -4.014500 13.126600 1XA 0 -0.17700 -0.17700 UNCH CL3 5
2 4 2 7 1 8 1 0 0 0 0 0 0 -7.367600 -5.471400 12.369100 1XA 0 -0.15000 -0.15000 UNCH C4 6
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.714900 -5.846500 11.583100 1XA 0 0.15000 0.15000 UNCH H4 7
2 6 1 9 1 10 2 0 0 0 0 0 0 -8.679700 -5.943700 12.453300 1XA 0 -0.15000 -0.15000 UNCH C5 8
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.032900 -6.681200 11.735900 1XA 0 0.15000 0.15000 UNCH H5 9
2 1 1 8 2 11 1 0 0 0 0 0 0 -9.525800 -5.469100 13.454400 1XA 0 0.17700 0.17700 UNCH C6 10
57 10 1 0 0 0 0 0 0 0 0 0 0 -11.131300 -6.093100 13.546900 1XA 0 -0.17700 -0.17700 UNCH CL6 11
16 1 1 13 1 0 0 0 0 0 0 0 0 -9.912300 -4.049800 15.373600 1XA 0 -0.23250 -0.23250 UNCH O1 12
2 12 1 14 2 15 1 0 0 0 0 0 0 -10.624500 -2.928500 14.965800 1XA 0 0.65900 0.65900 UNCH C7 13
15 13 2 0 0 0 0 0 0 0 0 0 0 -10.551800 -2.378300 13.875000 1XA 0 -0.57000 -0.57000 UNCH O7 14
3 13 1 16 1 17 1 18 1 0 0 0 0 -11.515100 -2.482400 16.085899 1XA 0 0.06100 0.06100 UNCH C8 15
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.910400 -2.216700 16.956499 1XA 0 0.00000 0.00000 UNCH H81 16
41 15 1 0 0 0 0 0 0 0 0 0 0 -12.078700 -1.599800 15.770300 1XA 0 0.00000 0.00000 UNCH H82 17
41 15 1 0 0 0 0 0 0 0 0 0 0 -12.222800 -3.276900 16.335199 1XA 0 0.00000 0.00000 UNCH H83 18
28 [CITNOI10,28,28,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 6 1 7 1 0 0 0 0 0 0 0 0 -8.266400 -2.234200 13.217100 1XA 0 -0.37100 -0.37100 CITK S1 1
15 7 2 0 0 0 0 0 0 0 0 0 0 -5.808600 -1.871700 14.031200 1XA 0 -0.57000 -0.57000 CITK O1 2
15 9 2 0 0 0 0 0 0 0 0 0 0 -7.820000 -5.163700 15.857600 1XA 0 -0.57000 -0.57000 CITK O2 3
25 8 1 9 1 16 1 0 0 0 0 0 0 -7.465500 -5.122900 13.595600 1XA 0 -0.73010 -0.73010 CITK N1 4
3 6 1 17 1 18 1 19 1 0 0 0 0 -8.848100 -1.570300 15.835100 1XA 0 0.00000 0.00000 CITK C1 5
3 1 1 5 1 20 1 21 1 0 0 0 0 -8.603600 -0.958500 14.466200 1XA 0 0.23000 0.23000 CITK C2 6
2 1 1 2 2 8 1 0 0 0 0 0 0 -6.651500 -2.719200 13.753400 1XA 0 0.65000 0.65000 CITK C3 7
3 4 1 7 1 22 1 23 1 0 0 0 0 -6.332400 -4.216100 13.712200 1XA 0 0.36110 0.36110 CITK C4 8
2 3 2 4 1 10 1 0 0 0 0 0 0 -8.162300 -5.494200 14.728300 1XA 0 0.54380 0.54380 CITK C5 9
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2 1 1 8 1 10 2 0 0 0 0 0 0 -10.219100 -3.783300 14.803500 1XA 0 0.08620 0.08620 COCX C9 9
2 4 1 5 1 9 2 0 0 0 0 0 0 -9.342800 -4.505500 15.619600 1XA 0 0.08620 0.08620 COCX C10 10
1 14 1 13 3 0 0 0 0 0 0 0 0 -10.389000 -2.344800 11.462200 1XA 0 0.66310 0.66310 COCX C11 11
1 16 1 15 3 0 0 0 0 0 0 0 0 -6.004200 -5.958300 15.545400 1XA 0 0.66310 0.66310 COCX C12 12
24 11 3 0 0 0 0 0 0 0 0 0 0 -10.098400 -2.034300 10.384600 1XA 0 -0.55710 -0.55710 COCX N1 13
25 1 2 11 1 0 0 0 0 0 0 0 0 -10.695600 -2.717300 12.709000 1XA 0 -0.55600 -0.55600 COCX N2 14
24 12 3 0 0 0 0 0 0 0 0 0 0 -4.952600 -6.274900 15.176300 1XA 0 -0.55710 -0.55710 COCX N3 15
25 4 2 12 1 0 0 0 0 0 0 0 0 -7.222900 -5.579000 15.942700 1XA 0 -0.55600 -0.55600 COCX N4 16
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.164000 -3.539800 11.968700 1XA 0 0.15000 0.15000 COCX H2 17
41 3 1 0 0 0 0 0 0 0 0 0 0 -6.670800 -4.770400 13.359200 1XA 0 0.15000 0.15000 COCX H3 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.077800 -5.420900 17.575001 1XA 0 0.15000 0.15000 COCX H5 19
41 6 1 0 0 0 0 0 0 0 0 0 0 -11.298900 -4.774900 18.410200 1XA 0 0.15000 0.15000 COCX H6 20
41 7 1 0 0 0 0 0 0 0 0 0 0 -12.854300 -3.493200 16.961800 1XA 0 0.15000 0.15000 COCX H7 21
41 8 1 0 0 0 0 0 0 0 0 0 0 -12.185000 -2.860300 14.681600 1XA 0 0.15000 0.15000 COCX H8 22
23 [COGDEH,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 7 2 2 1 0 0 0 0 0 0 0 0 -9.847000 -5.911400 17.778601 1XA 0 -0.33810 -0.33810 COGD N1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -8.831000 -6.166000 18.672199 1XA 0 0.00000 0.00000 COGD N2 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -7.663300 -5.739000 18.209600 1XA 0 -0.41800 -0.41800 COGD N3 3
25 3 1 7 1 5 1 0 0 0 0 0 0 -7.934400 -5.207700 17.012100 1XA 0 0.77160 0.77160 COGD N4 4
25 4 1 8 2 0 0 0 0 0 0 0 0 -6.982500 -4.660300 16.222300 1XA 0 -0.65200 -0.65200 COGD N5 5
25 9 2 7 1 0 0 0 0 0 0 0 0 -9.825300 -4.847400 15.583700 1XA 0 -0.57600 -0.57600 COGD N6 6
2 1 2 4 1 6 1 0 0 0 0 0 0 -9.290100 -5.314800 16.744400 1XA 0 0.31250 0.31250 COGD C1 7
2 5 2 10 1 9 1 0 0 0 0 0 0 -7.479600 -4.208200 15.107200 1XA 0 0.43560 0.43560 COGD C2 8
2 6 2 8 1 13 1 0 0 0 0 0 0 -8.972100 -4.301700 14.762100 1XA 0 0.36380 0.36380 COGD C3 9
2 8 1 18 1 11 2 0 0 0 0 0 0 -6.585600 -3.573600 14.116000 1XA 0 -0.13560 -0.13560 COGD C4 10
2 10 2 19 1 12 1 0 0 0 0 0 0 -7.060200 -3.098200 12.960600 1XA 0 -0.17840 -0.17840 COGD C5 11
2 11 1 14 1 13 2 0 0 0 0 0 0 -8.476900 -3.171900 12.602000 1XA 0 0.02840 0.02840 COGD C6 12
2 9 1 12 2 17 1 0 0 0 0 0 0 -9.419200 -3.751500 13.461700 1XA 0 0.08620 0.08620 COGD C7 13
2 12 1 20 1 15 2 0 0 0 0 0 0 -8.908100 -2.653700 11.373700 1XA 0 -0.15000 -0.15000 COGD C8 14
2 14 2 21 1 16 1 0 0 0 0 0 0 -10.256500 -2.714200 11.012400 1XA 0 -0.15000 -0.15000 COGD C9 15
2 15 1 22 1 17 2 0 0 0 0 0 0 -11.186800 -3.292300 11.873300 1XA 0 -0.15000 -0.15000 COGD C10 16
2 13 1 16 2 23 1 0 0 0 0 0 0 -10.771400 -3.811800 13.098700 1XA 0 -0.15000 -0.15000 COGD C11 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -5.532900 -3.513100 14.370700 1XA 0 0.15000 0.15000 COGD H4 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -6.379000 -2.636300 12.250400 1XA 0 0.15000 0.15000 COGD H5 19
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.202100 -2.196900 10.682900 1XA 0 0.15000 0.15000 COGD H8 20
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.581400 -2.309100 10.056400 1XA 0 0.15000 0.15000 COGD H9 21
41 16 1 0 0 0 0 0 0 0 0 0 0 -12.236300 -3.338900 11.591100 1XA 0 0.15000 0.15000 COGD H10 22
41 17 1 0 0 0 0 0 0 0 0 0 0 -11.507100 -4.261100 13.763200 1XA 0 0.15000 0.15000 COGD H11 23
18 [COGYAY,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 5 1 0 0 0 0 0 0 0 0 0 0 -7.502200 -1.029200 11.623000 1XA 0 -0.12300 -0.12300 COGH CL1 1
25 3 1 6 2 0 0 0 0 0 0 0 0 -10.070600 -3.688100 12.775700 1XA 0 -0.70680 -0.70680 COGH N1 2
25 2 1 4 1 7 1 0 0 0 0 0 0 -8.995400 -3.813300 13.609100 1XA 0 0.85900 0.85900 COGH N2 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -7.960500 -2.959700 13.376100 1XA 0 -0.70680 -0.70680 COGH N3 4
2 1 1 4 2 6 1 0 0 0 0 0 0 -8.410600 -2.258400 12.337600 1XA 0 0.41180 0.41180 COGH C4 5
2 2 2 5 1 13 1 0 0 0 0 0 0 -9.684300 -2.694500 11.971300 1XA 0 0.13880 0.13880 COGH C5 6
2 3 1 8 2 12 1 0 0 0 0 0 0 -8.959500 -4.773900 14.653400 1XA 0 -0.02300 -0.02300 COGH C6 7
2 7 2 9 1 14 1 0 0 0 0 0 0 -7.834100 -4.866900 15.485300 1XA 0 -0.15000 -0.15000 COGH C7 8
2 8 1 10 2 15 1 0 0 0 0 0 0 -7.803000 -5.813400 16.511400 1XA 0 -0.15000 -0.15000 COGH C8 9
2 9 2 11 1 16 1 0 0 0 0 0 0 -8.888700 -6.666100 16.710400 1XA 0 -0.15000 -0.15000 COGH C9 10
2 10 1 12 2 17 1 0 0 0 0 0 0 -10.009700 -6.576700 15.885200 1XA 0 -0.15000 -0.15000 COGH C10 11
2 7 1 11 2 18 1 0 0 0 0 0 0 -10.049300 -5.633100 14.856600 1XA 0 -0.15000 -0.15000 COGH C11 12
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.334500 -2.349000 11.180500 1XA 0 0.15000 0.15000 COGH H1 13
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.976200 -4.211300 15.347500 1XA 0 0.15000 0.15000 COGH H2 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.930500 -5.885300 17.156300 1XA 0 0.15000 0.15000 COGH H3 15
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.861100 -7.401900 17.510401 1XA 0 0.15000 0.15000 COGH H4 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.854500 -7.242800 16.042700 1XA 0 0.15000 0.15000 COGH H5 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.933400 -5.580000 14.224200 1XA 0 0.15000 0.15000 COGH H6 18
15 [COHKOZ,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 1 8 1 0 0 0 0 0 0 0 0 -9.299200 -2.292800 14.061700 1XA 0 0.18070 0.18070 UNCH S1 1
16 10 1 11 1 0 0 0 0 0 0 0 0 -10.658300 -4.078100 15.991200 1XA 0 -0.43000 -0.43000 UNCH O9 2
25 1 1 7 2 0 0 0 0 0 0 0 0 -8.107800 -2.163400 12.893100 1XA 0 -0.50950 -0.50950 UNCH N2 3
25 7 1 8 2 0 0 0 0 0 0 0 0 -7.994400 -4.416500 13.606800 1XA 0 -0.56530 -0.56530 UNCH N4 4
24 9 3 0 0 0 0 0 0 0 0 0 0 -5.603300 -3.770700 11.120800 1XA 0 -0.55710 -0.55710 UNCH N7 5
25 10 2 12 1 0 0 0 0 0 0 0 0 -9.430900 -6.000800 15.536000 1XA 0 -0.85000 -0.85000 UNCH N11 6
2 3 2 4 1 9 1 0 0 0 0 0 0 -7.545200 -3.371400 12.803300 1XA 0 0.53500 0.53500 UNCH C3 7
2 1 1 4 2 10 1 0 0 0 0 0 0 -8.975100 -3.946400 14.358800 1XA 0 0.29310 0.29310 UNCH C5 8
1 5 3 7 1 0 0 0 0 0 0 0 0 -6.472200 -3.585800 11.871400 1XA 0 0.53810 0.53810 UNCH C6 9
2 2 1 6 2 8 1 0 0 0 0 0 0 -9.687100 -4.751700 15.322300 1XA 0 0.68500 0.68500 UNCH C8 10
3 2 1 13 1 14 1 15 1 0 0 0 0 -11.392400 -4.836900 16.958599 1XA 0 0.28000 0.28000 UNCH C10 11
43 6 1 0 0 0 0 0 0 0 0 0 0 -8.659500 -6.279900 14.911500 1XA 0 0.40000 0.40000 UNCH H11 12
41 11 1 0 0 0 0 0 0 0 0 0 0 -12.132800 -4.173100 17.413799 1XA 0 0.00000 0.00000 UNCH H101 13
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.921700 -5.664400 16.476101 1XA 0 0.00000 0.00000 UNCH H102 14
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.726000 -5.201800 17.746300 1XA 0 0.00000 0.00000 UNCH H103 15
23 [COJFIQ,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 13 1 6 2 2 1 0 0 0 0 0 0 -8.808100 -5.574800 13.642900 1XA 0 -0.17900 -0.17900 COJF N1 1
2 1 1 23 1 3 2 0 0 0 0 0 0 -7.626300 -6.094000 14.012800 1XA 0 0.52100 0.52100 COJF C2 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -6.709000 -5.467600 14.780900 1XA 0 -0.57900 -0.57900 COJF N3 3
2 3 1 10 1 5 2 0 0 0 0 0 0 -7.123800 -4.214000 15.131700 1XA 0 0.61900 0.61900 COJF C4 4
2 4 2 8 1 6 1 0 0 0 0 0 0 -8.332600 -3.624500 14.777400 1XA 0 0.30900 0.30900 COJF C5 5
2 1 2 5 1 7 1 0 0 0 0 0 0 -9.255800 -4.347700 13.991300 1XA 0 0.50200 0.50200 COJF C6 6
25 6 1 12 1 11 1 0 0 0 0 0 0 -10.484400 -3.958000 13.472600 1XA 0 -0.83820 -0.83820 COJF N6 7
25 5 1 14 1 9 2 0 0 0 0 0 0 -8.299600 -2.364100 15.368700 1XA 0 -0.70000 -0.70000 COJF N7 8
2 8 2 15 1 10 1 0 0 0 0 0 0 -7.143500 -2.188700 16.033100 1XA 0 0.65000 0.65000 COJF C8 9
25 4 1 9 1 16 1 0 0 0 0 0 0 -6.438200 -3.312400 15.886700 1XA 0 -0.70000 -0.70000 COJF N9 10
3 7 1 19 1 18 1 17 1 0 0 0 0 -11.639700 -4.721100 13.979500 1XA 0 0.36910 0.36910 COJF C10 11
3 7 1 22 1 21 1 20 1 0 0 0 0 -10.754200 -2.522600 13.328200 1XA 0 0.36910 0.36910 COJF C11 12
43 1 1 0 0 0 0 0 0 0 0 0 0 -9.406500 -6.114100 13.015300 1XA 0 0.45700 0.45700 COJF H1 13
43 8 1 0 0 0 0 0 0 0 0 0 0 -9.029100 -1.652700 15.337500 1XA 0 0.45000 0.45000 COJF H7 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.845300 -1.302700 16.585699 1XA 0 0.15000 0.15000 COJF H8 15
43 10 1 0 0 0 0 0 0 0 0 0 0 -5.513800 -3.480800 16.281099 1XA 0 0.45000 0.45000 COJF H9 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.810500 -4.505700 15.040300 1XA 0 0.00000 0.00000 COJF H10 17
41 11 1 0 0 0 0 0 0 0 0 0 0 -12.544300 -4.454800 13.422100 1XA 0 0.00000 0.00000 COJF H11 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.491500 -5.799400 13.858000 1XA 0 0.00000 0.00000 COJF H12 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.906400 -2.006700 12.864200 1XA 0 0.00000 0.00000 COJF H13 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.620100 -2.369500 12.674900 1XA 0 0.00000 0.00000 COJF H14 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.974200 -2.061400 14.296800 1XA 0 0.00000 0.00000 COJF H15 22
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.386500 -7.093200 13.653800 1XA 0 0.15000 0.15000 COJF H2 23
25 [COKDEL,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 2 3 1 4 1 0 0 0 0 0 0 -9.414200 -2.574900 12.872700 1XA 0 0.35850 0.35850 COKD S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -8.040200 -2.579900 12.271500 1XA 0 -0.50000 -0.50000 COKD O1 2
16 1 1 5 1 0 0 0 0 0 0 0 0 -9.431500 -3.697200 14.028600 1XA 0 -0.33200 -0.33200 COKD O2 3
3 1 1 14 1 15 1 16 1 0 0 0 0 -10.488600 -3.543000 11.784700 1XA 0 0.19350 0.19350 COKD C1 4
3 3 1 6 1 8 1 12 1 0 0 0 0 -8.556900 -3.455800 15.137700 1XA 0 0.48000 0.48000 COKD C2 5
1 5 1 7 3 0 0 0 0 0 0 0 0 -9.330200 -2.780300 16.204599 1XA 0 -0.20000 -0.20000 COKD C3 6
1 6 3 13 1 0 0 0 0 0 0 0 0 -9.959600 -2.222600 17.062599 1XA 0 -0.17700 -0.17700 COKD C4 7
3 5 1 9 1 10 1 11 1 0 0 0 0 -7.947900 -4.817000 15.604500 1XA 0 0.00000 0.00000 COKD C5 8
3 8 1 17 1 18 1 19 1 0 0 0 0 -7.146100 -5.435500 14.437900 1XA 0 0.00000 0.00000 COKD C6 9
3 8 1 20 1 21 1 22 1 0 0 0 0 -6.982900 -4.607500 16.788099 1XA 0 0.00000 0.00000 COKD C7 10
3 8 1 23 1 24 1 25 1 0 0 0 0 -9.038900 -5.826600 16.014799 1XA 0 0.00000 0.00000 COKD C8 11
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.723700 -2.799600 14.846900 1XA 0 0.00000 0.00000 COKD H2 12
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.517900 -1.728400 17.824100 1XA 0 0.17700 0.17700 COKD H4 13
41 4 1 0 0 0 0 0 0 0 0 0 0 -11.466200 -3.665000 12.257100 1XA 0 0.00000 0.00000 COKD H11 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.605100 -3.006100 10.840500 1XA 0 0.00000 0.00000 COKD H12 15
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.039400 -4.521100 11.595600 1XA 0 0.00000 0.00000 COKD H13 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.661900 -6.370600 14.742100 1XA 0 0.00000 0.00000 COKD H61 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.789400 -5.664800 13.581300 1XA 0 0.00000 0.00000 COKD H62 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.361000 -4.752500 14.094300 1XA 0 0.00000 0.00000 COKD H63 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.504600 -4.242200 17.678900 1XA 0 0.00000 0.00000 COKD H71 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.489000 -5.546000 17.064899 1XA 0 0.00000 0.00000 COKD H72 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.200100 -3.883600 16.535101 1XA 0 0.00000 0.00000 COKD H73 22
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.736800 -6.021700 15.193300 1XA 0 0.00000 0.00000 COKD H81 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.595300 -6.787000 16.302601 1XA 0 0.00000 0.00000 COKD H82 24
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.619700 -5.468900 16.871401 1XA 0 0.00000 0.00000 COKD H83 25
27 [COKROJ,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
41 14 1 0 0 0 0 0 0 0 0 0 0 -11.775600 -6.957600 14.097100 1XA 0 0.15000 0.15000 CHGB H1 1
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.056400 -7.576300 10.765700 1XA 0 0.00000 0.00000 CHGB H2 2
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.539700 -8.951700 11.761300 1XA 0 0.00000 0.00000 CHGB H3 3
41 16 1 0 0 0 0 0 0 0 0 0 0 -11.244800 -8.472800 11.726000 1XA 0 0.00000 0.00000 CHGB H4 4
41 19 1 0 0 0 0 0 0 0 0 0 0 -6.832200 -3.773000 15.016600 1XA 0 0.15000 0.15000 CHGB H5 5
41 20 1 0 0 0 0 0 0 0 0 0 0 -6.131800 -1.876000 13.594400 1XA 0 0.15000 0.15000 CHGB H6 6
41 22 1 0 0 0 0 0 0 0 0 0 0 -9.904600 0.067400 14.341800 1XA 0 0.15000 0.15000 CHGB H7 7
41 23 1 0 0 0 0 0 0 0 0 0 0 -10.593200 -1.836800 15.765500 1XA 0 0.15000 0.15000 CHGB H8 8
43 24 1 0 0 0 0 0 0 0 0 0 0 -6.564400 0.420800 12.983200 1XA 0 0.40000 0.40000 CHGB H9 9
43 24 1 0 0 0 0 0 0 0 0 0 0 -8.035700 1.190700 13.287600 1XA 0 0.40000 0.40000 CHGB H10 10
16 15 1 12 1 0 0 0 0 0 0 0 0 -8.734300 -6.650900 12.939100 1XA 0 -0.01910 -0.01910 CHGB O1 11
25 11 1 13 2 0 0 0 0 0 0 0 0 -8.670900 -5.827600 14.045800 1XA 0 -0.40970 -0.40970 CHGB N1 12
2 12 2 17 1 14 1 0 0 0 0 0 0 -9.880300 -5.871100 14.616900 1XA 0 -0.01720 -0.01720 CHGB C1 13
2 1 1 13 1 15 2 0 0 0 0 0 0 -10.744100 -6.722400 13.885300 1XA 0 -0.15000 -0.15000 CHGB C2 14
2 11 1 14 2 16 1 0 0 0 0 0 0 -9.978600 -7.186000 12.846400 1XA 0 -0.04000 -0.04000 CHGB C3 15
3 2 1 3 1 4 1 15 1 0 0 0 0 -10.218000 -8.094200 11.716100 1XA 0 0.18000 0.18000 CHGB C4 16
201 13 1 27 1 0 0 0 0 0 0 0 0 -10.272600 -5.193900 15.747900 1XA 0 -0.23410 -0.23410 CHGB N2 17
2 27 1 23 1 19 2 0 0 0 0 0 0 -8.745600 -2.905400 15.481800 1XA 0 -0.00900 -0.00900 CHGB C5 18
2 5 1 18 2 20 1 0 0 0 0 0 0 -7.487600 -2.916600 14.883100 1XA 0 -0.15000 -0.15000 CHGB C6 19
2 6 1 19 1 21 2 0 0 0 0 0 0 -7.097300 -1.835900 14.088100 1XA 0 -0.15000 -0.15000 CHGB C7 20
2 20 2 24 1 22 1 0 0 0 0 0 0 -7.931000 -0.721600 13.938300 1XA 0 0.10000 0.10000 CHGB C8 21
2 7 1 21 1 23 2 0 0 0 0 0 0 -9.211200 -0.751300 14.503800 1XA 0 -0.15000 -0.15000 CHGB C9 22
2 8 1 18 1 22 2 0 0 0 0 0 0 -9.613800 -1.828800 15.296900 1XA 0 -0.15000 -0.15000 CHGB C10 23
25 9 1 10 1 21 1 0 0 0 0 0 0 -7.570500 0.317800 13.063800 1XA 0 -0.90000 -0.90000 CHGB N3 24
15 27 2 0 0 0 0 0 0 0 0 0 0 -9.907700 -3.536600 17.651400 1XA 0 -0.65000 -0.65000 CHGB O2 25
15 27 2 0 0 0 0 0 0 0 0 0 0 -7.990100 -4.883000 16.966499 1XA 0 -0.65000 -0.65000 CHGB O3 26
49 17 1 18 1 25 2 26 2 0 0 0 0 -9.258200 -4.273800 16.561501 1XA 0 0.84910 0.84910 CHGB S1 27
44 [COLZUY,44,44,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 9 1 7 1 4 1 0 0 0 0 0 0 -10.144300 -5.921500 13.972300 1XA 0 0.05510 0.05510 COLZ P1 1
3 20 1 19 1 8 1 3 1 0 0 0 0 -7.470800 -6.306600 15.589100 1XA 0 0.00000 0.00000 COLZ C1 2
3 2 1 22 1 21 1 4 1 0 0 0 0 -7.460700 -6.372000 14.056200 1XA 0 0.27000 0.27000 COLZ C2 3
26 1 1 3 1 5 1 0 0 0 0 0 0 -8.569400 -5.635900 13.468700 1XA 0 -0.65100 -0.65100 COLZ N1 4
3 4 1 24 1 23 1 6 1 0 0 0 0 -8.297100 -4.947100 12.209900 1XA 0 0.27000 0.27000 COLZ C3 5
3 5 1 26 1 25 1 10 1 0 0 0 0 -7.366400 -3.697900 12.290700 1XA 0 0.27000 0.27000 COLZ C4 6
26 1 1 11 1 8 1 0 0 0 0 0 0 -9.992700 -5.993200 15.657200 1XA 0 -0.65100 -0.65100 COLZ N2 7
3 2 1 7 1 28 1 27 1 0 0 0 0 -8.821800 -6.683200 16.208500 1XA 0 0.27000 0.27000 COLZ C5 8
3 1 1 31 1 30 1 29 1 0 0 0 0 -10.375000 -7.683400 13.536300 1XA 0 0.16690 0.16690 COLZ C6 9
26 6 1 13 1 12 1 0 0 0 0 0 0 -7.775700 -2.499800 13.052700 1XA 0 -0.65100 -0.65100 COLZ N2B 10
3 7 1 33 1 32 1 14 1 0 0 0 0 -10.402000 -4.795200 16.419100 1XA 0 0.27000 0.27000 COLZ C4B 11
53 10 1 16 1 15 1 0 0 0 0 0 0 -7.624100 -2.571500 14.737600 1XA 0 0.05510 0.05510 COLZ P1B 12
3 10 1 35 1 34 1 17 1 0 0 0 0 -8.946500 -1.809800 12.501400 1XA 0 0.27000 0.27000 COLZ C5B 13
3 11 1 37 1 36 1 15 1 0 0 0 0 -9.471300 -3.545900 16.500000 1XA 0 0.27000 0.27000 COLZ C3B 14
26 12 1 14 1 18 1 0 0 0 0 0 0 -9.199000 -2.857100 15.241200 1XA 0 -0.65100 -0.65100 COLZ N1B 15
3 12 1 40 1 39 1 38 1 0 0 0 0 -7.393400 -0.809700 15.173600 1XA 0 0.16690 0.16690 COLZ C6B 16
3 13 1 42 1 41 1 18 1 0 0 0 0 -10.297600 -2.186400 13.120800 1XA 0 0.00000 0.00000 COLZ C1B 17
3 15 1 17 1 44 1 43 1 0 0 0 0 -10.307600 -2.121000 14.653700 1XA 0 0.27000 0.27000 COLZ C2B 18
41 2 1 0 0 0 0 0 0 0 0 0 0 -6.703300 -6.989000 15.974800 1XA 0 0.00000 0.00000 COLZ H1 19
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.174300 -5.308200 15.919900 1XA 0 0.00000 0.00000 COLZ H2 20
41 3 1 0 0 0 0 0 0 0 0 0 0 -6.493900 -5.979600 13.720200 1XA 0 0.00000 0.00000 COLZ H3 21
41 3 1 0 0 0 0 0 0 0 0 0 0 -7.481100 -7.418700 13.727700 1XA 0 0.00000 0.00000 COLZ H4 22
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.841200 -5.663500 11.512400 1XA 0 0.00000 0.00000 COLZ H5 23
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23 [COMDIR,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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15 5 2 0 0 0 0 0 0 0 0 0 0 -9.509100 -2.385000 12.442800 1XA 0 -0.57000 -0.57000 UNCH O1 3
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41 12 1 0 0 0 0 0 0 0 0 0 0 -11.954800 -4.646700 13.074600 1XA 0 0.15000 0.15000 UNCH H8 20
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.981200 -6.866700 14.131800 1XA 0 0.15000 0.15000 UNCH H9 21
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17 [COMKAQ,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 3 1 8 1 0 0 0 0 0 0 -10.331900 -4.690600 13.636900 1XA 0 0.66700 0.66700 UNCH C1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -11.378200 -5.167000 14.050400 1XA 0 -0.57000 -0.57000 UNCH O1 2
16 1 1 4 1 0 0 0 0 0 0 0 0 -10.248600 -3.443000 13.083700 1XA 0 -0.43000 -0.43000 UNCH O2 3
3 3 1 5 1 11 1 12 1 0 0 0 0 -8.934600 -3.219600 12.542700 1XA 0 0.28000 0.28000 UNCH C2 4
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3 6 1 8 1 9 1 16 1 0 0 0 0 -8.095400 -5.431600 14.919200 1XA 0 0.18100 0.18100 UNCH C5 7
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24 9 3 0 0 0 0 0 0 0 0 0 0 -9.351600 -5.626100 17.191700 1XA 0 -0.55710 -0.55710 UNCH N1 10
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.003500 -3.323000 11.454500 1XA 0 0.00000 0.00000 UNCH H1 11
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41 5 1 0 0 0 0 0 0 0 0 0 0 -7.177500 -4.582600 12.461900 1XA 0 0.00000 0.00000 UNCH H3 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.443200 -3.932100 14.736700 1XA 0 0.00000 0.00000 UNCH H4 14
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.018500 -3.197300 15.107400 1XA 0 0.00000 0.00000 UNCH H5 15
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18 [COMWOQ,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 12 1 8 1 2 1 0 0 0 0 0 0 -10.034600 -5.792500 13.851500 1XA 0 0.03320 0.03320 COMW N1 1
2 1 1 13 1 3 2 0 0 0 0 0 0 -10.888800 -5.104800 14.672500 1XA 0 -0.30160 -0.30160 COMW C2 2
2 2 2 10 1 9 1 0 0 0 0 0 0 -10.271000 -3.926300 15.050800 1XA 0 -0.08600 -0.08600 COMW C3 3
2 14 1 9 1 5 2 0 0 0 0 0 0 -7.903700 -3.003600 14.416300 1XA 0 -0.15000 -0.15000 COMW C4 4
2 4 2 15 1 6 1 0 0 0 0 0 0 -6.754800 -3.302400 13.675200 1XA 0 -0.15000 -0.15000 COMW C5 5
2 5 1 16 1 7 2 0 0 0 0 0 0 -6.669100 -4.485700 12.946500 1XA 0 -0.15000 -0.15000 COMW C6 6
2 6 2 17 1 8 1 0 0 0 0 0 0 -7.724200 -5.402500 12.936000 1XA 0 -0.15000 -0.15000 COMW C7 7
2 1 1 7 1 9 2 0 0 0 0 0 0 -8.866100 -5.087700 13.682900 1XA 0 -0.15160 -0.15160 COMW C8 8
2 3 1 4 1 8 2 0 0 0 0 0 0 -8.984400 -3.910500 14.424200 1XA 0 0.00000 0.00000 COMW C9 9
2 3 1 18 1 11 2 0 0 0 0 0 0 -10.862900 -2.928100 15.922400 1XA 0 0.59600 0.59600 COMW C10 10
15 10 2 0 0 0 0 0 0 0 0 0 0 -10.312000 -1.883400 16.256201 1XA 0 -0.57000 -0.57000 COMW O11 11
43 1 1 0 0 0 0 0 0 0 0 0 0 -10.226300 -6.689300 13.425900 1XA 0 0.27000 0.27000 COMW H12 12
41 2 1 0 0 0 0 0 0 0 0 0 0 -11.860700 -5.513800 14.915500 1XA 0 0.15000 0.15000 COMW H13 13
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.961400 -2.077000 14.982300 1XA 0 0.15000 0.15000 COMW H14 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -5.923900 -2.601300 13.671300 1XA 0 0.15000 0.15000 COMW H15 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.767800 -4.700100 12.376700 1XA 0 0.15000 0.15000 COMW H16 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.652700 -6.323300 12.366500 1XA 0 0.15000 0.15000 COMW H17 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.877200 -3.164700 16.286301 1XA 0 0.06000 0.06000 COMW H18 18
27 [COMWUW,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 14 1 9 1 3 1 0 0 0 0 0 0 -7.833100 -2.382500 13.340400 1XA 0 0.03320 0.03320 COMW N1 1
26 13 1 12 1 11 1 0 0 0 0 0 0 -9.017800 -5.003500 16.835501 1XA 0 -0.81000 -0.81000 COMW N11 2
2 1 1 15 1 4 2 0 0 0 0 0 0 -8.289100 -2.328200 14.629600 1XA 0 -0.30160 -0.30160 COMW C2 3
2 3 2 11 1 10 1 0 0 0 0 0 0 -8.978500 -3.497500 14.899300 1XA 0 -0.18100 -0.18100 COMW C3 4
2 16 1 10 1 6 2 0 0 0 0 0 0 -9.439100 -5.551200 13.341400 1XA 0 -0.15000 -0.15000 COMW C4 5
2 5 2 17 1 7 1 0 0 0 0 0 0 -9.216300 -6.043600 12.050500 1XA 0 -0.15000 -0.15000 COMW C5 6
2 6 1 18 1 8 2 0 0 0 0 0 0 -8.500400 -5.294500 11.120000 1XA 0 -0.15000 -0.15000 COMW C6 7
2 7 2 19 1 9 1 0 0 0 0 0 0 -7.985200 -4.037500 11.450700 1XA 0 -0.15000 -0.15000 COMW C7 8
2 1 1 8 1 10 2 0 0 0 0 0 0 -8.217500 -3.561300 12.746900 1XA 0 -0.15160 -0.15160 COMW C8 9
2 4 1 5 1 9 2 0 0 0 0 0 0 -8.933800 -4.284700 13.700800 1XA 0 0.00000 0.00000 COMW C9 10
3 2 1 4 1 21 1 20 1 0 0 0 0 -9.664000 -3.850700 16.185600 1XA 0 0.45100 0.45100 COMW C10 11
3 2 1 27 1 26 1 25 1 0 0 0 0 -9.852700 -5.484200 17.936701 1XA 0 0.27000 0.27000 COMW C12 12
3 2 1 24 1 23 1 22 1 0 0 0 0 -7.682500 -4.667600 17.334600 1XA 0 0.27000 0.27000 COMW C13 13
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.294900 -1.661600 12.881200 1XA 0 0.27000 0.27000 COMW H14 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.086200 -1.465200 15.249100 1XA 0 0.15000 0.15000 COMW H15 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.988100 -6.144400 14.066900 1XA 0 0.15000 0.15000 COMW H16 16
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41 13 1 0 0 0 0 0 0 0 0 0 0 -7.231200 -5.534300 17.831600 1XA 0 0.00000 0.00000 COMW H23 23
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25 2 1 3 1 11 1 0 0 0 0 0 0 -9.126300 -5.542700 13.481600 1XA 0 -0.58510 -0.58510 UNCH N1 1
3 1 1 23 1 24 1 25 1 0 0 0 0 -9.304800 -5.189000 12.077900 1XA 0 0.30010 0.30010 UNCH C1 2
2 1 1 4 2 5 1 0 0 0 0 0 0 -10.275800 -5.898400 14.177800 1XA 0 0.69000 0.69000 UNCH C2 3
15 3 2 0 0 0 0 0 0 0 0 0 0 -11.385200 -5.790500 13.654400 1XA 0 -0.57000 -0.57000 UNCH O2 4
25 3 1 6 1 7 1 0 0 0 0 0 0 -10.107400 -6.379700 15.474000 1XA 0 -0.42010 -0.42010 UNCH N3 5
3 5 1 26 1 27 1 28 1 0 0 0 0 -11.309300 -6.793500 16.181700 1XA 0 0.30010 0.30010 UNCH C3 6
2 5 1 8 2 9 1 0 0 0 0 0 0 -8.894900 -6.597800 16.147699 1XA 0 0.57700 0.57700 UNCH C4 7
15 7 2 0 0 0 0 0 0 0 0 0 0 -8.859600 -7.219900 17.218500 1XA 0 -0.57000 -0.57000 UNCH O4 8
3 7 1 10 1 11 1 20 1 0 0 0 0 -7.622500 -6.046900 15.469800 1XA 0 0.35100 0.35100 UNCH C5 9
56 9 1 0 0 0 0 0 0 0 0 0 0 -6.584100 -6.884400 15.750900 1XA 0 -0.29800 -0.29800 UNCH F5 10
3 1 1 9 1 22 1 29 1 0 0 0 0 -7.744100 -5.751600 13.964200 1XA 0 0.22500 0.22500 UNCH C6 11
25 13 1 14 1 22 1 0 0 0 0 0 0 -7.213100 -3.258200 13.498500 1XA 0 -0.58510 -0.58510 UNCH N1_ 12
3 12 1 30 1 31 1 32 1 0 0 0 0 -6.401200 -2.913500 12.339300 1XA 0 0.30010 0.30010 UNCH C1_ 13
2 12 1 15 2 16 1 0 0 0 0 0 0 -8.140700 -2.322900 13.935400 1XA 0 0.69000 0.69000 UNCH C2_ 14
15 14 2 0 0 0 0 0 0 0 0 0 0 -8.319500 -1.270500 13.321900 1XA 0 -0.57000 -0.57000 UNCH O2_ 15
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3 16 1 33 1 34 1 35 1 0 0 0 0 -9.928100 -1.734000 15.459700 1XA 0 0.30010 0.30010 UNCH C3_ 17
2 16 1 19 2 20 1 0 0 0 0 0 0 -8.503100 -3.611900 16.037800 1XA 0 0.57700 0.57700 UNCH C4_ 18
15 18 2 0 0 0 0 0 0 0 0 0 0 -9.133900 -3.732800 17.097000 1XA 0 -0.57000 -0.57000 UNCH O4_ 19
3 9 1 18 1 21 1 22 1 0 0 0 0 -7.305200 -4.529000 15.687700 1XA 0 0.35100 0.35100 UNCH C5_ 20
56 20 1 0 0 0 0 0 0 0 0 0 0 -6.302900 -4.266100 16.568001 1XA 0 -0.29800 -0.29800 UNCH F5_ 21
3 11 1 12 1 20 1 36 1 0 0 0 0 -6.869300 -4.496100 14.219300 1XA 0 0.22500 0.22500 UNCH C6_ 22
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.892500 -4.268300 12.015100 1XA 0 0.00000 0.00000 UNCH H11 23
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.844500 -5.992900 11.567200 1XA 0 0.00000 0.00000 UNCH H12 24
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.338800 -5.044500 11.588300 1XA 0 0.00000 0.00000 UNCH H13 25
41 6 1 0 0 0 0 0 0 0 0 0 0 -11.445000 -7.868600 16.026600 1XA 0 0.00000 0.00000 UNCH H31 26
41 6 1 0 0 0 0 0 0 0 0 0 0 -12.196700 -6.267200 15.818800 1XA 0 0.00000 0.00000 UNCH H32 27
41 6 1 0 0 0 0 0 0 0 0 0 0 -11.211900 -6.600500 17.254801 1XA 0 0.00000 0.00000 UNCH H33 28
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.241800 -6.503300 13.342200 1XA 0 0.00000 0.00000 UNCH H6 29
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41 13 1 0 0 0 0 0 0 0 0 0 0 -7.007100 -2.403600 11.584500 1XA 0 0.00000 0.00000 UNCH H15 31
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.977300 -3.819900 11.897800 1XA 0 0.00000 0.00000 UNCH H16 32
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41 17 1 0 0 0 0 0 0 0 0 0 0 -9.520300 -0.955100 16.111900 1XA 0 0.00000 0.00000 UNCH H35 34
41 17 1 0 0 0 0 0 0 0 0 0 0 -10.715500 -2.270500 15.997900 1XA 0 0.00000 0.00000 UNCH H36 35
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49 2 2 0 0 0 0 0 0 0 0 0 0 -7.628300 -2.762600 15.525700 1XA 0 -0.38000 -0.38000 CONF S1 1
2 1 2 5 1 4 1 0 0 0 0 0 0 -8.331900 -4.138700 14.937600 1XA 0 0.59000 0.59000 CONF C1 2
3 8 1 7 1 6 1 4 1 0 0 0 0 -9.647500 -3.033800 13.209300 1XA 0 0.28000 0.28000 CONF C2 3
16 2 1 3 1 0 0 0 0 0 0 0 0 -9.214800 -4.210300 13.916800 1XA 0 -0.43000 -0.43000 CONF O1 4
25 2 1 10 1 9 1 0 0 0 0 0 0 -8.077900 -5.366600 15.444800 1XA 0 -0.80000 -0.80000 CONF N1 5
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.800100 -2.548500 12.716400 1XA 0 0.00000 0.00000 CONF H1 6
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41 3 1 0 0 0 0 0 0 0 0 0 0 -10.353500 -3.354400 12.437900 1XA 0 0.00000 0.00000 CONF H3 8
43 5 1 0 0 0 0 0 0 0 0 0 0 -8.533100 -6.177500 15.050700 1XA 0 0.37000 0.37000 CONF H4 9
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.434900 -5.477800 16.216200 1XA 0 0.37000 0.37000 CONF H5 10
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32 3 1 5 1 6 1 7 1 0 0 0 0 -9.664300 -3.786800 15.299800 1XA 0 -1.01200 -1.01200 CONL N1 1
32 4 1 5 1 8 1 9 1 0 0 0 0 -8.457000 -4.967900 13.552400 1XA 0 -1.01200 -1.01200 CONL N2 2
3 1 1 4 1 10 1 11 1 0 0 0 0 -10.637000 -4.700500 14.553700 1XA 0 0.50300 0.50300 CONL C1 3
3 2 1 3 1 12 1 13 1 0 0 0 0 -9.739400 -5.737600 13.894300 1XA 0 0.50300 0.50300 CONL C2 4
3 1 1 2 1 14 1 15 1 0 0 0 0 -8.403900 -3.778300 14.479200 1XA 0 1.00600 1.00600 CONL C3 5
3 1 1 16 1 17 1 18 1 0 0 0 0 -9.390500 -4.314500 16.709700 1XA 0 0.50300 0.50300 CONL C5 6
3 1 1 19 1 20 1 21 1 0 0 0 0 -10.242700 -2.380000 15.433300 1XA 0 0.50300 0.50300 CONL C6 7
3 2 1 22 1 23 1 24 1 0 0 0 0 -8.489600 -4.502800 12.093300 1XA 0 0.50300 0.50300 CONL C7 8
3 2 1 25 1 26 1 27 1 0 0 0 0 -7.230500 -5.858700 13.730400 1XA 0 0.50300 0.50300 CONL C8 9
41 3 1 0 0 0 0 0 0 0 0 0 0 -11.150700 -4.097100 13.797000 1XA 0 0.00000 0.00000 CONL H1 10
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41 5 1 0 0 0 0 0 0 0 0 0 0 -8.361100 -2.858400 13.884800 1XA 0 0.00000 0.00000 CONL H5 14
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41 6 1 0 0 0 0 0 0 0 0 0 0 -10.337700 -4.343100 17.256300 1XA 0 0.00000 0.00000 CONL H9 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.685200 -3.637100 17.200300 1XA 0 0.00000 0.00000 CONL H10 17
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.963800 -5.318100 16.631701 1XA 0 0.00000 0.00000 CONL H11 18
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.507300 -1.753800 15.946900 1XA 0 0.00000 0.00000 CONL H12 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.170400 -2.444800 16.009199 1XA 0 0.00000 0.00000 CONL H13 20
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.443400 -1.988900 14.431300 1XA 0 0.00000 0.00000 CONL H14 21
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.376400 -3.878500 11.949800 1XA 0 0.00000 0.00000 CONL H15 22
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.536200 -5.387100 11.451000 1XA 0 0.00000 0.00000 CONL H16 23
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.578500 -3.930700 11.894000 1XA 0 0.00000 0.00000 CONL H17 24
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.185200 -6.180700 14.775000 1XA 0 0.00000 0.00000 CONL H18 25
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.341300 -5.276200 13.471800 1XA 0 0.00000 0.00000 CONL H19 26
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.335700 -6.723000 13.068200 1XA 0 0.00000 0.00000 CONL H20 27
23 [CORDOC,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 1 4 1 12 2 13 2 0 0 0 0 -9.514600 -2.863600 12.636300 1XA 0 1.08960 1.08960 CORD S1 1
57 4 1 0 0 0 0 0 0 0 0 0 0 -7.435500 -0.847700 13.073300 1XA 0 -0.29000 -0.29000 CORD CL1 2
3 1 1 15 1 16 1 17 1 0 0 0 0 -9.376200 -2.150400 11.011100 1XA 0 0.10520 0.10520 CORD C1 3
3 1 1 2 1 5 1 18 1 0 0 0 0 -7.967400 -2.508200 13.463100 1XA 0 0.45620 0.45620 CORD C2 4
2 4 1 6 1 14 2 0 0 0 0 0 0 -8.127900 -2.672300 14.959800 1XA 0 0.42280 0.42280 CORD C3 5
2 5 1 7 2 11 1 0 0 0 0 0 0 -8.439100 -4.017000 15.525000 1XA 0 0.08620 0.08620 CORD C4 6
2 6 2 8 1 19 1 0 0 0 0 0 0 -7.983500 -5.203900 14.940500 1XA 0 -0.15000 -0.15000 CORD C5 7
2 7 1 9 2 20 1 0 0 0 0 0 0 -8.296900 -6.434000 15.525800 1XA 0 -0.15000 -0.15000 CORD C6 8
2 8 2 10 1 21 1 0 0 0 0 0 0 -9.052300 -6.483500 16.696699 1XA 0 -0.15000 -0.15000 CORD C7 9
2 9 1 11 2 22 1 0 0 0 0 0 0 -9.494800 -5.303900 17.291000 1XA 0 -0.15000 -0.15000 CORD C8 10
2 6 1 10 2 23 1 0 0 0 0 0 0 -9.186100 -4.073400 16.709999 1XA 0 -0.15000 -0.15000 CORD C9 11
15 1 2 0 0 0 0 0 0 0 0 0 0 -9.573100 -4.301100 12.424700 1XA 0 -0.65000 -0.65000 CORD O1 12
15 1 2 0 0 0 0 0 0 0 0 0 0 -10.605100 -2.186200 13.311500 1XA 0 -0.65000 -0.65000 CORD O2 13
15 5 2 0 0 0 0 0 0 0 0 0 0 -7.979200 -1.751100 15.764900 1XA 0 -0.57000 -0.57000 CORD O3 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -9.420600 -1.062800 11.077700 1XA 0 0.00000 0.00000 CORD H11 15
41 3 1 0 0 0 0 0 0 0 0 0 0 -10.221500 -2.507500 10.417800 1XA 0 0.00000 0.00000 CORD H12 16
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.442400 -2.484800 10.555200 1XA 0 0.00000 0.00000 CORD H13 17
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.197000 -3.176500 13.074000 1XA 0 0.00000 0.00000 CORD H21 18
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.384100 -5.211400 14.035900 1XA 0 0.15000 0.15000 CORD H51 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.952700 -7.357900 15.066400 1XA 0 0.15000 0.15000 CORD H61 20
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.295800 -7.442900 17.147100 1XA 0 0.15000 0.15000 CORD H71 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.081100 -5.340200 18.205999 1XA 0 0.15000 0.15000 CORD H81 22
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.535900 -3.157400 17.184000 1XA 0 0.15000 0.15000 CORD H91 23
8 [CORWUB10,8,8,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 2 0 0 0 0 0 0 0 0 0 0 -9.000500 -2.631000 13.299000 1XA 0 -0.75000 -0.75000 CORW S13 1
51 3 1 0 0 0 0 0 0 0 0 0 0 -11.094800 -4.194800 14.741600 1XA 0 -0.75000 -0.75000 CORW S23 2
2 1 2 2 1 4 1 0 0 0 0 0 0 -9.486500 -3.938200 14.256000 1XA 0 0.79600 0.79600 CORW C13 3
25 3 1 7 1 5 1 0 0 0 0 0 0 -8.677300 -4.883300 14.719400 1XA 0 -0.72600 -0.72600 CORW N13 4
2 4 1 8 1 6 2 0 0 0 0 0 0 -7.337400 -4.963300 14.508400 1XA 0 0.57000 0.57000 CORW C23 5
15 5 2 0 0 0 0 0 0 0 0 0 0 -6.653600 -5.873200 14.973400 1XA 0 -0.57000 -0.57000 CORW O13 6
43 4 1 0 0 0 0 0 0 0 0 0 0 -9.055600 -5.627700 15.284400 1XA 0 0.37000 0.37000 CORW H13 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.883500 -4.171400 13.897200 1XA 0 0.06000 0.06000 CORW H23 8
18 [COSFAR,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 9 1 10 1 0 0 0 0 0 0 0 0 -7.678000 -6.131000 12.837600 1XA 0 -0.24250 -0.24250 UNCH S1 1
15 10 2 0 0 0 0 0 0 0 0 0 0 -5.415900 -4.929000 13.490000 1XA 0 -0.57000 -0.57000 UNCH O1 2
25 8 1 10 1 11 1 0 0 0 0 0 0 -7.407600 -4.000900 14.295500 1XA 0 -0.47710 -0.47710 UNCH N1 3
2 5 2 9 1 12 1 0 0 0 0 0 0 -10.446900 -5.753100 13.323600 1XA 0 -0.15000 -0.15000 UNCH C1 4
2 4 2 6 1 13 1 0 0 0 0 0 0 -11.449000 -4.994500 13.931500 1XA 0 -0.15000 -0.15000 UNCH C2 5
2 5 1 7 2 14 1 0 0 0 0 0 0 -11.121100 -3.862300 14.691600 1XA 0 -0.15000 -0.15000 UNCH C3 6
2 6 2 8 1 15 1 0 0 0 0 0 0 -9.787300 -3.474000 14.853700 1XA 0 -0.15000 -0.15000 UNCH C4 7
2 3 1 7 1 9 2 0 0 0 0 0 0 -8.796400 -4.233600 14.246000 1XA 0 0.11700 0.11700 UNCH C5 8
2 1 1 4 1 8 2 0 0 0 0 0 0 -9.129000 -5.358900 13.491100 1XA 0 0.10150 0.10150 UNCH C6 9
2 1 1 2 2 3 1 0 0 0 0 0 0 -6.632200 -4.915600 13.597500 1XA 0 0.77100 0.77100 UNCH C7 10
3 3 1 16 1 17 1 18 1 0 0 0 0 -6.828500 -2.895300 15.016800 1XA 0 0.30010 0.30010 UNCH C8 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.697600 -6.629900 12.734800 1XA 0 0.15000 0.15000 UNCH H1 12
41 5 1 0 0 0 0 0 0 0 0 0 0 -12.491500 -5.283200 13.815100 1XA 0 0.15000 0.15000 UNCH H2 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -11.913500 -3.281300 15.159100 1XA 0 0.15000 0.15000 UNCH H3 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.552900 -2.595600 15.444900 1XA 0 0.15000 0.15000 UNCH H4 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.209900 -1.955100 14.607400 1XA 0 0.00000 0.00000 UNCH H11 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.091400 -2.975300 16.075899 1XA 0 0.00000 0.00000 UNCH H22 17
41 11 1 0 0 0 0 0 0 0 0 0 0 -5.738400 -2.897800 14.927100 1XA 0 0.00000 0.00000 UNCH H33 18
16 [COSSEI,16,16,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 2 0 0 0 0 0 0 0 0 0 0 -11.311800 -6.039600 15.836400 1XA 0 -0.75000 -0.75000 CHGB S1 1
51 3 1 0 0 0 0 0 0 0 0 0 0 -10.951100 -4.061900 18.048100 1XA 0 -0.75000 -0.75000 CHGB S2 2
2 1 2 2 1 4 1 0 0 0 0 0 0 -10.738100 -4.571200 16.440599 1XA 0 0.79600 0.79600 CHGB C1 3
25 3 1 6 1 5 1 0 0 0 0 0 0 -10.089300 -3.661400 15.716000 1XA 0 -0.96610 -0.96610 CHGB N1 4
3 4 1 9 1 8 1 7 1 0 0 0 0 -9.549100 -3.846500 14.375700 1XA 0 0.30010 0.30010 CHGB C2 5
43 4 1 0 0 0 0 0 0 0 0 0 0 -9.753300 -2.838900 16.197001 1XA 0 0.37000 0.37000 CHGB H1 6
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.389900 -2.835900 13.983700 1XA 0 0.00000 0.00000 CHGB H21 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -10.302800 -4.300100 13.722600 1XA 0 0.00000 0.00000 CHGB H22 8
3 5 1 12 1 11 1 10 1 0 0 0 0 -8.218900 -4.620900 14.334300 1XA 0 0.30010 0.30010 CHGB C2A 9
25 9 1 14 1 13 1 0 0 0 0 0 0 -7.678700 -4.806000 12.994000 1XA 0 -0.96610 -0.96610 CHGB N1A 10
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.378100 -5.631500 14.726300 1XA 0 0.00000 0.00000 CHGB H21A 11
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.465200 -4.167300 14.987400 1XA 0 0.00000 0.00000 CHGB H22A 12
2 10 1 16 1 15 2 0 0 0 0 0 0 -7.029900 -3.896200 12.269400 1XA 0 0.79600 0.79600 CHGB C1A 13
43 10 1 0 0 0 0 0 0 0 0 0 0 -8.014700 -5.628500 12.513000 1XA 0 0.37000 0.37000 CHGB H1A 14
49 13 2 0 0 0 0 0 0 0 0 0 0 -6.456200 -2.427800 12.873600 1XA 0 -0.75000 -0.75000 CHGB S1A 15
51 13 1 0 0 0 0 0 0 0 0 0 0 -6.816900 -4.405500 10.661900 1XA 0 -0.75000 -0.75000 CHGB S2A 16
24 [COSWIQ,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 8 1 2 2 0 0 0 0 0 0 0 0 -8.689100 -4.162800 14.927900 1XA 0 -0.62100 -0.62100 COSW N1 1
2 1 2 9 1 3 1 0 0 0 0 0 0 -9.966200 -4.170900 15.083900 1XA 0 0.58560 0.58560 COSW C2 2
2 2 1 15 1 4 2 0 0 0 0 0 0 -10.940600 -3.085500 15.326100 1XA 0 -0.13560 -0.13560 COSW C3 3
2 3 2 16 1 5 1 0 0 0 0 0 0 -11.133900 -2.092900 14.444300 1XA 0 -0.15000 -0.15000 COSW C4 4
2 4 1 11 1 6 2 0 0 0 0 0 0 -10.416800 -1.901600 13.191800 1XA 0 0.06500 0.06500 COSW C5 5
2 5 2 17 1 7 1 0 0 0 0 0 0 -9.074200 -1.832400 13.097900 1XA 0 -0.15000 -0.15000 COSW C6 6
2 6 1 18 1 8 2 0 0 0 0 0 0 -8.141100 -1.930700 14.203300 1XA 0 -0.15000 -0.15000 COSW C7 7
2 1 1 7 2 13 1 0 0 0 0 0 0 -8.009300 -2.976600 15.041700 1XA 0 0.17100 0.17100 COSW C8 8
16 2 1 10 1 0 0 0 0 0 0 0 0 -10.695000 -5.320500 15.046800 1XA 0 -0.43000 -0.43000 COSW O9 9
3 9 1 21 1 20 1 19 1 0 0 0 0 -9.959900 -6.521900 14.790200 1XA 0 0.28000 0.28000 COSW C10 10
1 5 1 12 3 0 0 0 0 0 0 0 0 -11.208000 -1.688800 12.018000 1XA 0 0.49210 0.49210 COSW C11 11
24 11 3 0 0 0 0 0 0 0 0 0 0 -11.849400 -1.500300 11.069200 1XA 0 -0.55710 -0.55710 COSW N12 12
2 8 1 22 1 14 2 0 0 0 0 0 0 -7.004900 -2.935200 16.098801 1XA 0 -0.15000 -0.15000 COSW C13 13
2 13 2 24 1 23 1 0 0 0 0 0 0 -6.750500 -3.911500 16.982100 1XA 0 -0.30000 -0.30000 COSW C14 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -11.550900 -3.182700 16.215799 1XA 0 0.15000 0.15000 COSW H3 15
41 4 1 0 0 0 0 0 0 0 0 0 0 -11.923600 -1.370900 14.647500 1XA 0 0.15000 0.15000 COSW H4 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.607900 -1.623800 12.135100 1XA 0 0.15000 0.15000 COSW H6 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.489100 -1.066200 14.311900 1XA 0 0.15000 0.15000 COSW H7 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.670200 -7.353100 14.773100 1XA 0 0.00000 0.00000 COSW H101 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.233900 -6.704500 15.588500 1XA 0 0.00000 0.00000 COSW H102 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.466700 -6.469500 13.814600 1XA 0 0.00000 0.00000 COSW H103 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.412700 -2.025100 16.171700 1XA 0 0.15000 0.15000 COSW H13 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.293800 -4.851200 16.970501 1XA 0 0.15000 0.15000 COSW H1 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.979300 -3.790500 17.735201 1XA 0 0.15000 0.15000 COSW H2 24
20 [COTMON,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
26 2 1 13 1 14 1 0 0 0 0 0 0 -7.241300 -4.935700 17.608500 1XA 0 -0.72900 -0.72900 UNCH N1 1
25 1 1 3 1 15 1 0 0 0 0 0 0 -7.460700 -3.568500 17.334200 1XA 0 -0.42100 -0.42100 UNCH N2 2
2 2 1 4 1 12 2 0 0 0 0 0 0 -8.082500 -3.146900 16.160801 1XA 0 0.50000 0.50000 UNCH C3 3
25 3 1 5 1 16 1 0 0 0 0 0 0 -8.427300 -4.211100 15.361300 1XA 0 -0.54700 -0.54700 UNCH N4 4
2 4 1 6 2 10 1 0 0 0 0 0 0 -9.055000 -4.349800 14.111900 1XA 0 0.11700 0.11700 UNCH C5 5
2 5 2 7 1 17 1 0 0 0 0 0 0 -9.216000 -5.664000 13.644700 1XA 0 -0.15000 -0.15000 UNCH C6 6
2 6 1 8 2 18 1 0 0 0 0 0 0 -9.827100 -5.924700 12.414000 1XA 0 -0.15000 -0.15000 UNCH C7 7
2 7 2 9 1 11 1 0 0 0 0 0 0 -10.284400 -4.867200 11.636800 1XA 0 0.17700 0.17700 UNCH C8 8
2 8 1 10 2 19 1 0 0 0 0 0 0 -10.133600 -3.558500 12.083400 1XA 0 -0.15000 -0.15000 UNCH C9 9
2 5 1 9 2 20 1 0 0 0 0 0 0 -9.520500 -3.302100 13.317600 1XA 0 -0.15000 -0.15000 UNCH C10 10
57 8 1 0 0 0 0 0 0 0 0 0 0 -11.037100 -5.177500 10.122300 1XA 0 -0.17700 -0.17700 UNCH CL1 11
49 3 2 0 0 0 0 0 0 0 0 0 0 -8.284800 -1.508800 15.951500 1XA 0 -0.38000 -0.38000 UNCH S1 12
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.691100 -5.155800 18.502300 1XA 0 0.36000 0.36000 UNCH H11 13
43 1 1 0 0 0 0 0 0 0 0 0 0 -6.237300 -5.070800 17.762400 1XA 0 0.36000 0.36000 UNCH H21 14
43 2 1 0 0 0 0 0 0 0 0 0 0 -7.171100 -2.839500 17.987000 1XA 0 0.37000 0.37000 UNCH H2 15
43 4 1 0 0 0 0 0 0 0 0 0 0 -8.139600 -5.068800 15.827900 1XA 0 0.37000 0.37000 UNCH H4 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.865600 -6.506800 14.236400 1XA 0 0.15000 0.15000 UNCH H6 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.940400 -6.950100 12.073600 1XA 0 0.15000 0.15000 UNCH H7 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.488800 -2.726300 11.481000 1XA 0 0.15000 0.15000 UNCH H9 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.430200 -2.265600 13.614100 1XA 0 0.15000 0.15000 UNCH H10 20
15 [COTPEG,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 6 2 0 0 0 0 0 0 0 0 0 0 -0.116000 0.690800 9.640500 1XA 0 -0.90000 -0.90000 CHGB O1 1
18 6 1 0 0 0 0 0 0 0 0 0 0 0.944500 2.410400 10.684000 1XA 0 -0.90000 -0.90000 CHGB O2 2
15 7 2 0 0 0 0 0 0 0 0 0 0 -0.908900 -0.166000 12.097300 1XA 0 -0.57000 -0.57000 CHGB O3 3
15 10 2 0 0 0 0 0 0 0 0 0 0 0.747800 2.797200 15.818000 1XA 0 -0.57000 -0.57000 CHGB O4 4
16 10 1 11 1 0 0 0 0 0 0 0 0 -0.401000 1.226300 16.890499 1XA 0 -0.65000 -0.65000 CHGB O5 5
2 1 2 2 1 7 1 0 0 0 0 0 0 0.236800 1.352600 10.665800 1XA 0 0.94700 0.94700 CHGB C1 6
2 3 2 6 1 8 1 0 0 0 0 0 0 -0.219800 0.854300 12.043500 1XA 0 0.36200 0.36200 CHGB C2 7
3 7 1 9 1 12 1 13 1 0 0 0 0 0.201800 1.644300 13.260300 1XA 0 0.06100 0.06100 CHGB C3 8
3 8 1 10 1 14 1 15 1 0 0 0 0 -0.335900 1.011600 14.536700 1XA 0 0.06100 0.06100 CHGB C4 9
2 4 2 5 1 9 1 0 0 0 0 0 0 0.073700 1.783800 15.756000 1XA 0 0.65900 0.65900 CHGB C5 10
42 5 1 0 0 0 0 0 0 0 0 0 0 -0.062400 1.823600 17.588200 1XA 0 0.50000 0.50000 CHGB H5 11
41 8 1 0 0 0 0 0 0 0 0 0 0 1.296600 1.680200 13.290600 1XA 0 0.00000 0.00000 CHGB H31 12
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.176100 2.667900 13.159700 1XA 0 0.00000 0.00000 CHGB H32 13
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.431000 0.976800 14.505500 1XA 0 0.00000 0.00000 CHGB H41 14
41 9 1 0 0 0 0 0 0 0 0 0 0 0.043400 -0.012000 14.636500 1XA 0 0.00000 0.00000 CHGB H42 15
25 [COTRIM,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
18 3 1 0 0 0 0 0 0 0 0 0 0 -8.052500 -4.745100 8.696200 1XA 0 -0.75000 -0.75000 COTR O11 1
18 4 1 0 0 0 0 0 0 0 0 0 0 -10.621800 -3.592800 14.276500 1XA 0 -0.63300 -0.63300 COTR O21 2
31 1 1 10 2 6 1 0 0 0 0 0 0 -8.363400 -4.572400 9.911400 1XA 0 0.57100 0.57100 COTR N11 3
31 2 1 8 1 5 2 0 0 0 0 0 0 -9.432100 -3.983100 14.019500 1XA 0 0.86800 0.86800 COTR N21 4
25 4 2 11 1 0 0 0 0 0 0 0 0 -8.525400 -4.215100 14.884700 1XA 0 -0.38600 -0.38600 COTR N31 5
2 3 1 17 1 7 2 0 0 0 0 0 0 -9.632400 -4.151100 10.267500 1XA 0 -0.06050 -0.06050 COTR C21 6
2 6 2 18 1 8 1 0 0 0 0 0 0 -9.989500 -3.956500 11.602800 1XA 0 -0.15000 -0.15000 COTR C31 7
2 4 1 7 1 9 2 0 0 0 0 0 0 -9.047700 -4.190800 12.611200 1XA 0 -0.02800 -0.02800 COTR C41 8
2 8 2 19 1 10 1 0 0 0 0 0 0 -7.760600 -4.617200 12.264500 1XA 0 -0.15000 -0.15000 COTR C51 9
2 3 2 9 1 20 1 0 0 0 0 0 0 -7.439800 -4.801100 10.917900 1XA 0 -0.06050 -0.06050 COTR C61 10
2 5 1 16 1 12 2 0 0 0 0 0 0 -8.851000 -4.029300 16.237200 1XA 0 0.17900 0.17900 COTR C71 11
2 11 2 21 1 13 1 0 0 0 0 0 0 -8.621800 -2.796300 16.856899 1XA 0 -0.15000 -0.15000 COTR C81 12
2 12 1 22 1 14 2 0 0 0 0 0 0 -8.907000 -2.622200 18.212799 1XA 0 -0.15000 -0.15000 COTR C91 13
2 13 2 23 1 15 1 0 0 0 0 0 0 -9.413000 -3.684800 18.959999 1XA 0 -0.15000 -0.15000 COTR C101 14
2 14 1 24 1 16 2 0 0 0 0 0 0 -9.630600 -4.921400 18.354401 1XA 0 -0.15000 -0.15000 COTR C111 15
2 11 1 15 2 25 1 0 0 0 0 0 0 -9.344800 -5.094000 16.998501 1XA 0 -0.15000 -0.15000 COTR C121 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.286500 -3.997300 9.422600 1XA 0 0.15000 0.15000 COTR H21 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.998600 -3.624300 11.840100 1XA 0 0.15000 0.15000 COTR H31 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.998000 -4.810900 13.015100 1XA 0 0.15000 0.15000 COTR H51 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.478600 -5.126300 10.548700 1XA 0 0.15000 0.15000 COTR H61 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.224700 -1.964200 16.282101 1XA 0 0.15000 0.15000 COTR H81 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.735600 -1.658100 18.684799 1XA 0 0.15000 0.15000 COTR H91 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -9.637800 -3.549000 20.015200 1XA 0 0.15000 0.15000 COTR H101 23
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.023500 -5.750800 18.936899 1XA 0 0.15000 0.15000 COTR H111 24
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.514200 -6.061800 16.534500 1XA 0 0.15000 0.15000 COTR H121 25
17 [COVHUQ,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 4 1 7 1 8 1 9 1 0 0 0 0 -9.963300 -2.655400 19.029900 1XA 0 0.23000 0.23000 UNCH C1 1
2 3 2 4 1 5 1 0 0 0 0 0 0 -8.996700 -3.995200 16.876301 1XA 0 0.85200 0.85200 UNCH C3 2
15 2 2 0 0 0 0 0 0 0 0 0 0 -10.020700 -4.641800 17.047501 1XA 0 -0.57000 -0.57000 UNCH O3 3
49 1 1 2 1 0 0 0 0 0 0 0 0 -8.552100 -2.640300 17.904900 1XA 0 -0.37100 -0.37100 UNCH S2 4
49 2 1 6 1 0 0 0 0 0 0 0 0 -7.825300 -4.319600 15.604700 1XA 0 -0.14100 -0.14100 UNCH S4 5
49 5 1 10 1 0 0 0 0 0 0 0 0 -8.852300 -5.589800 14.358600 1XA 0 0.00000 0.00000 UNCH S5 6
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41 1 1 0 0 0 0 0 0 0 0 0 0 -10.895400 -2.493400 18.481701 1XA 0 0.00000 0.00000 UNCH H12 8
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49 6 1 11 1 0 0 0 0 0 0 0 0 -9.915500 -4.361200 13.101300 1XA 0 -0.14100 -0.14100 UNCH S4B 10
2 10 1 12 2 13 1 0 0 0 0 0 0 -8.753900 -4.014600 11.826600 1XA 0 0.85200 0.85200 UNCH C3B 11
15 11 2 0 0 0 0 0 0 0 0 0 0 -7.711500 -4.632800 11.661100 1XA 0 -0.57000 -0.57000 UNCH O3B 12
49 11 1 14 1 0 0 0 0 0 0 0 0 -9.237400 -2.682600 10.785800 1XA 0 -0.37100 -0.37100 UNCH S2B 13
3 13 1 15 1 16 1 17 1 0 0 0 0 -7.826200 -2.667000 9.660700 1XA 0 0.23000 0.23000 UNCH C1B 14
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.963800 -1.872300 8.922600 1XA 0 0.00000 0.00000 UNCH H11B 15
41 14 1 0 0 0 0 0 0 0 0 0 0 -6.899200 -2.473100 10.207400 1XA 0 0.00000 0.00000 UNCH H12B 16
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.745100 -3.619800 9.130400 1XA 0 0.00000 0.00000 UNCH H13B 17
32 [COVMAB,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 2 3 1 0 0 0 0 0 0 0 0 -8.166500 -3.074800 13.231100 1XA 0 -0.69600 -0.69600 UNCH N2 1
2 1 2 7 1 17 1 0 0 0 0 0 0 -8.226400 -4.065800 14.043200 1XA 0 0.39000 0.39000 UNCH C1 2
3 1 1 4 1 5 1 6 1 0 0 0 0 -6.860500 -2.756200 12.623900 1XA 0 0.24600 0.24600 UNCH C3 3
3 3 1 8 1 9 1 10 1 0 0 0 0 -6.357500 -3.924700 11.767400 1XA 0 0.00000 0.00000 UNCH C4 4
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41 2 1 0 0 0 0 0 0 0 0 0 0 -7.386500 -4.715100 14.338800 1XA 0 0.06000 0.06000 UNCH H11 7
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41 5 1 0 0 0 0 0 0 0 0 0 0 -6.220800 -1.569100 14.339600 1XA 0 0.00000 0.00000 UNCH H51 11
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2 2 1 18 2 19 1 0 0 0 0 0 0 -9.541600 -4.401600 14.666800 1XA 0 0.39000 0.39000 UNCH C1B 17
25 17 2 20 1 0 0 0 0 0 0 0 0 -9.601500 -5.392600 15.478800 1XA 0 -0.69600 -0.69600 UNCH N2B 18
41 17 1 0 0 0 0 0 0 0 0 0 0 -10.381500 -3.752300 14.371200 1XA 0 0.06000 0.06000 UNCH H11B 19
3 18 1 21 1 22 1 23 1 0 0 0 0 -10.907500 -5.711200 16.086100 1XA 0 0.24600 0.24600 UNCH C3B 20
3 20 1 24 1 25 1 26 1 0 0 0 0 -11.410500 -4.542700 16.942600 1XA 0 0.00000 0.00000 UNCH C4B 21
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41 21 1 0 0 0 0 0 0 0 0 0 0 -11.643800 -3.662200 16.334600 1XA 0 0.00000 0.00000 UNCH H41B 24
41 21 1 0 0 0 0 0 0 0 0 0 0 -12.322600 -4.815800 17.485001 1XA 0 0.00000 0.00000 UNCH H42B 25
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41 22 1 0 0 0 0 0 0 0 0 0 0 -12.175200 -5.248600 14.359500 1XA 0 0.00000 0.00000 UNCH H52B 28
41 22 1 0 0 0 0 0 0 0 0 0 0 -12.867000 -6.440700 15.461800 1XA 0 0.00000 0.00000 UNCH H53B 29
41 23 1 0 0 0 0 0 0 0 0 0 0 -11.588100 -7.240500 17.497499 1XA 0 0.00000 0.00000 UNCH H61B 30
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33 [COVXIU,33,33,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 6 1 7 1 0 0 0 0 0 0 -10.815800 -4.041500 17.646000 1XA 0 0.10000 0.10000 COVX C1 1
2 1 2 3 1 20 1 0 0 0 0 0 0 -9.790100 -3.193800 17.214500 1XA 0 -0.15000 -0.15000 COVX C2 2
2 2 1 4 2 21 1 0 0 0 0 0 0 -9.749500 -2.734300 15.895400 1XA 0 -0.15000 -0.15000 COVX C3 3
2 3 2 5 1 8 1 0 0 0 0 0 0 -10.714900 -3.170100 14.986900 1XA 0 -0.00900 -0.00900 COVX C4 4
2 4 1 6 2 22 1 0 0 0 0 0 0 -11.718600 -4.054000 15.388900 1XA 0 -0.15000 -0.15000 COVX C5 5
2 1 1 5 2 23 1 0 0 0 0 0 0 -11.747800 -4.504900 16.711201 1XA 0 -0.15000 -0.15000 COVX C6 6
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49 4 1 9 2 10 2 11 1 0 0 0 0 -10.697900 -2.576700 13.313400 1XA 0 1.44700 1.44700 COVX S8 8
15 8 2 0 0 0 0 0 0 0 0 0 0 -12.076600 -2.278300 12.974600 1XA 0 -0.65000 -0.65000 COVX O9 9
15 8 2 0 0 0 0 0 0 0 0 0 0 -9.683500 -1.552800 13.175500 1XA 0 -0.65000 -0.65000 COVX O10 10
201 8 1 12 1 26 1 0 0 0 0 0 0 -10.289700 -3.911800 12.416400 1XA 0 -0.75700 -0.75700 COVX N11 11
2 11 1 13 2 17 1 0 0 0 0 0 0 -8.943700 -4.244800 12.339400 1XA 0 0.81900 0.81900 COVX C12 12
25 12 2 14 1 0 0 0 0 0 0 0 0 -8.593200 -4.750600 11.153700 1XA 0 -0.62000 -0.62000 COVX N13 13
2 13 1 15 2 18 1 0 0 0 0 0 0 -7.335600 -5.227700 11.066800 1XA 0 0.16650 0.16650 COVX C14 14
2 14 2 16 1 27 1 0 0 0 0 0 0 -6.472000 -5.238300 12.146900 1XA 0 -0.15000 -0.15000 COVX C15 15
2 15 1 17 2 19 1 0 0 0 0 0 0 -6.962600 -4.738700 13.338800 1XA 0 0.16650 0.16650 COVX C16 16
25 12 1 16 2 0 0 0 0 0 0 0 0 -8.213700 -4.255200 13.453900 1XA 0 -0.62000 -0.62000 COVX N17 17
3 14 1 28 1 29 1 30 1 0 0 0 0 -6.892700 -5.768700 9.740700 1XA 0 0.14350 0.14350 COVX C18 18
3 16 1 31 1 32 1 33 1 0 0 0 0 -6.105900 -4.730600 14.568400 1XA 0 0.14350 0.14350 COVX C19 19
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.011700 -2.880800 17.905399 1XA 0 0.15000 0.15000 COVX H2 20
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.954400 -2.062300 15.581400 1XA 0 0.15000 0.15000 COVX H3 21
41 5 1 0 0 0 0 0 0 0 0 0 0 -12.467500 -4.401300 14.681600 1XA 0 0.15000 0.15000 COVX H5 22
41 6 1 0 0 0 0 0 0 0 0 0 0 -12.510500 -5.220200 17.007999 1XA 0 0.15000 0.15000 COVX H6 23
43 7 1 0 0 0 0 0 0 0 0 0 0 -10.315500 -3.997200 19.616501 1XA 0 0.40000 0.40000 COVX H71 24
43 7 1 0 0 0 0 0 0 0 0 0 0 -11.683600 -4.916200 19.264000 1XA 0 0.40000 0.40000 COVX H72 25
45 11 1 0 0 0 0 0 0 0 0 0 0 -10.767400 -3.969700 11.525600 1XA 0 0.42000 0.42000 COVX H11 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -5.464500 -5.627400 12.066000 1XA 0 0.15000 0.15000 COVX H15 27
41 18 1 0 0 0 0 0 0 0 0 0 0 -7.689500 -5.675300 8.995800 1XA 0 0.00000 0.00000 COVX H181 28
41 18 1 0 0 0 0 0 0 0 0 0 0 -6.633800 -6.828100 9.832000 1XA 0 0.00000 0.00000 COVX H182 29
41 18 1 0 0 0 0 0 0 0 0 0 0 -6.021100 -5.214900 9.378100 1XA 0 0.00000 0.00000 COVX H183 30
41 19 1 0 0 0 0 0 0 0 0 0 0 -5.820800 -5.752500 14.837200 1XA 0 0.00000 0.00000 COVX H191 31
41 19 1 0 0 0 0 0 0 0 0 0 0 -6.643600 -4.292700 15.415700 1XA 0 0.00000 0.00000 COVX H192 32
41 19 1 0 0 0 0 0 0 0 0 0 0 -5.202100 -4.138000 14.396100 1XA 0 0.00000 0.00000 COVX H193 33
32 [COWTIR,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 2 1 3 1 4 1 7 1 0 0 0 0 -6.848400 -5.810900 14.413300 1XA 0 1.17120 1.17120 UNCH P1 1
16 1 1 17 1 0 0 0 0 0 0 0 0 -6.173200 -4.585700 13.593500 1XA 0 -0.77120 -0.77120 UNCH O1 2
18 1 1 0 0 0 0 0 0 0 0 0 0 -6.692200 -7.057800 13.607500 1XA 0 -0.95000 -0.95000 UNCH O2 3
18 1 1 0 0 0 0 0 0 0 0 0 0 -6.388000 -5.628200 15.842800 1XA 0 -0.95000 -0.95000 UNCH O3 4
16 12 1 28 1 0 0 0 0 0 0 0 0 -7.915500 -2.691700 13.606600 1XA 0 -0.53250 -0.53250 UNCH O12 5
32 7 1 8 1 19 1 20 1 0 0 0 0 -8.781600 -4.356900 15.797000 1XA 0 -0.90600 -0.90600 UNCH N1 6
3 1 1 6 1 11 1 18 1 0 0 0 0 -8.692600 -5.264600 14.558200 1XA 0 0.64650 0.64650 UNCH C1 7
3 6 1 9 1 10 1 21 1 0 0 0 0 -10.037400 -4.332000 16.561199 1XA 0 0.50300 0.50300 UNCH C2 8
3 8 1 22 1 23 1 24 1 0 0 0 0 -10.042000 -3.071900 17.418800 1XA 0 0.00000 0.00000 UNCH C3 9
3 8 1 25 1 26 1 27 1 0 0 0 0 -10.145100 -5.580600 17.427401 1XA 0 0.00000 0.00000 UNCH C4 10
2 7 1 12 2 16 1 0 0 0 0 0 0 -9.298200 -4.624100 13.336800 1XA 0 -0.14350 -0.14350 UNCH C11 11
2 5 1 11 2 13 1 0 0 0 0 0 0 -8.902300 -3.348200 12.924500 1XA 0 0.08250 0.08250 UNCH C12 12
2 12 1 14 2 29 1 0 0 0 0 0 0 -9.493000 -2.711400 11.840800 1XA 0 -0.15000 -0.15000 UNCH C13 13
2 13 2 15 1 30 1 0 0 0 0 0 0 -10.487400 -3.371300 11.122600 1XA 0 -0.15000 -0.15000 UNCH C14 14
2 14 1 16 2 31 1 0 0 0 0 0 0 -10.881200 -4.656800 11.495900 1XA 0 -0.15000 -0.15000 UNCH C15 15
2 11 1 15 2 32 1 0 0 0 0 0 0 -10.291600 -5.281500 12.598200 1XA 0 -0.15000 -0.15000 UNCH C16 16
42 2 1 0 0 0 0 0 0 0 0 0 0 -5.234300 -4.845800 13.474100 1XA 0 0.50000 0.50000 UNCH H1 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.208200 -6.192800 14.825100 1XA 0 0.00000 0.00000 UNCH H2 18
44 6 1 0 0 0 0 0 0 0 0 0 0 -8.473000 -3.432100 15.462000 1XA 0 0.45000 0.45000 UNCH H3 19
44 6 1 0 0 0 0 0 0 0 0 0 0 -7.950500 -4.699000 16.345600 1XA 0 0.45000 0.45000 UNCH H4 20
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41 10 1 0 0 0 0 0 0 0 0 0 0 -9.293900 -5.669500 18.111601 1XA 0 0.00000 0.00000 UNCH H11 27
42 5 1 0 0 0 0 0 0 0 0 0 0 -7.086400 -3.209200 13.427100 1XA 0 0.45000 0.45000 UNCH H12 28
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.172700 -1.716000 11.546600 1XA 0 0.15000 0.15000 UNCH H13 29
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.946700 -2.889600 10.262800 1XA 0 0.15000 0.15000 UNCH H14 30
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.645400 -5.176300 10.921700 1XA 0 0.15000 0.15000 UNCH H15 31
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23 [COXBAS,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 8 1 7 1 6 1 5 2 0 0 0 0 -9.081600 -4.931600 14.083300 1XA 0 1.24240 1.24240 COXB P1 1
49 9 1 8 1 0 0 0 0 0 0 0 0 -7.144200 -3.636400 15.966000 1XA 0 -0.46000 -0.46000 COXB S1 2
49 10 1 9 1 0 0 0 0 0 0 0 0 -8.817800 -1.162000 16.161100 1XA 0 -0.46000 -0.46000 COXB S2 3
49 10 1 8 1 0 0 0 0 0 0 0 0 -8.046600 -2.191100 13.451700 1XA 0 -0.46000 -0.46000 COXB S3 4
15 1 2 0 0 0 0 0 0 0 0 0 0 -10.387100 -4.538600 14.714800 1XA 0 -0.70000 -0.70000 COXB O1 5
16 1 1 11 1 0 0 0 0 0 0 0 0 -9.221300 -5.183700 12.489300 1XA 0 -0.55120 -0.55120 COXB O2 6
16 1 1 12 1 0 0 0 0 0 0 0 0 -8.564500 -6.371500 14.611700 1XA 0 -0.55120 -0.55120 COXB O3 7
3 1 1 2 1 4 1 13 1 0 0 0 0 -7.718900 -3.774500 14.259100 1XA 0 0.46000 0.46000 COXB C1 8
3 2 1 3 1 15 1 14 1 0 0 0 0 -8.565900 -2.844800 16.747700 1XA 0 0.46000 0.46000 COXB C2 9
3 3 1 4 1 23 1 16 1 0 0 0 0 -9.368900 -1.530600 14.488000 1XA 0 0.46000 0.46000 COXB C3 10
3 6 1 19 1 18 1 17 1 0 0 0 0 -10.373800 -5.879100 12.053100 1XA 0 0.28000 0.28000 COXB C4 11
3 7 1 22 1 21 1 20 1 0 0 0 0 -7.389000 -6.947000 14.078800 1XA 0 0.28000 0.28000 COXB C5 12
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.877800 -4.199600 13.703900 1XA 0 0.00000 0.00000 COXB H1 13
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41 10 1 0 0 0 0 0 0 0 0 0 0 -10.259300 -2.159700 14.485200 1XA 0 0.00000 0.00000 COXB H32 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.264500 -6.104800 10.989400 1XA 0 0.00000 0.00000 COXB H41 17
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.260300 -5.255000 12.193100 1XA 0 0.00000 0.00000 COXB H42 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.485800 -6.816800 12.604300 1XA 0 0.00000 0.00000 COXB H43 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.392400 -8.016200 14.305600 1XA 0 0.00000 0.00000 COXB H51 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.508900 -6.496200 14.543000 1XA 0 0.00000 0.00000 COXB H52 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.341500 -6.821100 12.994500 1XA 0 0.00000 0.00000 COXB H53 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.673600 -0.580500 14.038300 1XA 0 0.00000 0.00000 COXB H2 23
15 [COXZEU,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 8 1 7 1 0 0 0 0 0 0 0 0 -8.696600 -6.005200 13.021900 1XA 0 -0.37100 -0.37100 COXZ S1 1
49 7 2 0 0 0 0 0 0 0 0 0 0 -6.646400 -5.978100 15.187300 1XA 0 -0.38000 -0.38000 COXZ S2 2
25 7 1 6 2 0 0 0 0 0 0 0 0 -8.559400 -4.091700 14.910500 1XA 0 -0.66100 -0.66100 COXZ N1 3
25 14 1 12 1 6 1 0 0 0 0 0 0 -7.402300 -2.728400 13.314200 1XA 0 -0.85000 -0.85000 COXZ N2 4
25 15 1 13 1 6 1 0 0 0 0 0 0 -8.777900 -1.820100 14.789000 1XA 0 -0.85000 -0.85000 COXZ N3 5
2 3 2 4 1 5 1 0 0 0 0 0 0 -8.241400 -2.979900 14.345400 1XA 0 0.55000 0.55000 COXZ C1 6
2 1 1 2 2 3 1 0 0 0 0 0 0 -7.973000 -5.244600 14.454400 1XA 0 0.73200 0.73200 COXZ C2 7
3 1 1 11 1 10 1 9 1 0 0 0 0 -10.437500 -5.886400 13.487800 1XA 0 0.23000 0.23000 COXZ C3 8
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.603100 -6.325700 14.475300 1XA 0 0.00000 0.00000 COXZ H1 9
41 8 1 0 0 0 0 0 0 0 0 0 0 -11.041200 -6.434700 12.759600 1XA 0 0.00000 0.00000 COXZ H2 10
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.768900 -4.844700 13.491800 1XA 0 0.00000 0.00000 COXZ H3 11
43 4 1 0 0 0 0 0 0 0 0 0 0 -7.132400 -3.534600 12.760000 1XA 0 0.40000 0.40000 COXZ H4 12
43 5 1 0 0 0 0 0 0 0 0 0 0 -8.083900 -1.087900 14.890300 1XA 0 0.40000 0.40000 COXZ H5 13
43 4 1 0 0 0 0 0 0 0 0 0 0 -7.725300 -1.975200 12.716400 1XA 0 0.40000 0.40000 COXZ H6 14
43 5 1 0 0 0 0 0 0 0 0 0 0 -9.263100 -1.965800 15.670000 1XA 0 0.40000 0.40000 COXZ H7 15
26 [COYMOS,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 6 2 0 0 0 0 0 0 0 0 0 0 -8.299300 -7.239100 15.037400 1XA 0 -0.57000 -0.57000 COYK O1 1
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25 6 1 16 1 17 1 0 0 0 0 0 0 -7.664200 -6.296600 13.076800 1XA 0 -0.80000 -0.80000 COYK N1 3
25 7 1 18 1 19 1 0 0 0 0 0 0 -11.148800 -5.161300 12.075400 1XA 0 -0.80000 -0.80000 COYK N2 4
25 8 1 9 1 10 1 0 0 0 0 0 0 -9.785100 -4.222300 14.323900 1XA 0 -0.43800 -0.43800 COYK N3 5
2 1 2 3 1 9 1 0 0 0 0 0 0 -8.551400 -6.489600 14.100900 1XA 0 0.63000 0.63000 COYK C1 6
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3 5 1 9 1 20 1 21 1 0 0 0 0 -10.362100 -5.114800 15.321200 1XA 0 -0.03100 -0.03100 COYK C3 8
3 5 1 6 1 7 1 8 1 0 0 0 0 -9.817600 -5.701200 14.036000 1XA 0 0.16900 0.16900 COYK C4 9
2 5 1 11 2 15 1 0 0 0 0 0 0 -8.567000 -3.540000 14.573000 1XA 0 0.10000 0.10000 COYK C5 10
2 10 2 12 1 22 1 0 0 0 0 0 0 -8.330600 -2.388300 13.803000 1XA 0 -0.15000 -0.15000 COYK C6 11
2 11 1 13 2 23 1 0 0 0 0 0 0 -7.164600 -1.634000 13.957400 1XA 0 -0.15000 -0.15000 COYK C7 12
2 12 2 14 1 24 1 0 0 0 0 0 0 -6.211200 -2.016800 14.894600 1XA 0 -0.15000 -0.15000 COYK C8 13
2 13 1 15 2 25 1 0 0 0 0 0 0 -6.428900 -3.147400 15.676600 1XA 0 -0.15000 -0.15000 COYK C9 14
2 10 1 14 2 26 1 0 0 0 0 0 0 -7.598800 -3.899700 15.520200 1XA 0 -0.15000 -0.15000 COYK C10 15
43 3 1 0 0 0 0 0 0 0 0 0 0 -6.747000 -6.708100 13.186000 1XA 0 0.37000 0.37000 COYK H11 16
43 3 1 0 0 0 0 0 0 0 0 0 0 -7.761100 -5.509700 12.449300 1XA 0 0.37000 0.37000 COYK H21 17
43 4 1 0 0 0 0 0 0 0 0 0 0 -10.902600 -4.197300 12.266400 1XA 0 0.37000 0.37000 COYK H12 18
43 4 1 0 0 0 0 0 0 0 0 0 0 -11.955600 -5.348800 11.495500 1XA 0 0.37000 0.37000 COYK H22 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -11.433900 -5.004900 15.426500 1XA 0 0.10000 0.10000 COYK H13 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.824400 -5.267900 16.245001 1XA 0 0.10000 0.10000 COYK H23 21
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.070300 -2.068300 13.072600 1XA 0 0.15000 0.15000 COYK H6 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.006700 -0.746400 13.350300 1XA 0 0.15000 0.15000 COYK H7 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.303600 -1.432400 15.021500 1XA 0 0.15000 0.15000 COYK H8 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.689700 -3.448000 16.415400 1XA 0 0.15000 0.15000 COYK H9 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -7.720100 -4.772000 16.156601 1XA 0 0.15000 0.15000 COYK H10 26
18 [COYNAF,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
26 2 1 13 1 14 1 0 0 0 0 0 0 -7.218700 -1.610300 15.181800 1XA 0 -0.72900 -0.72900 UNCH N2 1
25 1 1 5 1 12 1 0 0 0 0 0 0 -7.888000 -2.793200 14.840200 1XA 0 -0.11100 -0.11100 UNCH N1 2
15 5 2 0 0 0 0 0 0 0 0 0 0 -9.719100 -2.666600 16.306700 1XA 0 -0.57000 -0.57000 UNCH O1 3
15 12 2 0 0 0 0 0 0 0 0 0 0 -6.336400 -3.724000 13.341400 1XA 0 -0.57000 -0.57000 UNCH O2 4
2 2 1 3 2 6 1 0 0 0 0 0 0 -9.069800 -3.191700 15.421300 1XA 0 0.54380 0.54380 UNCH C1 5
2 5 1 7 2 11 1 0 0 0 0 0 0 -9.406800 -4.467300 14.785600 1XA 0 0.08620 0.08620 UNCH C2 6
2 6 2 8 1 15 1 0 0 0 0 0 0 -10.497700 -5.293400 14.973800 1XA 0 -0.15000 -0.15000 UNCH C3 7
2 7 1 9 2 16 1 0 0 0 0 0 0 -10.543000 -6.472400 14.222800 1XA 0 -0.15000 -0.15000 UNCH C4 8
2 8 2 10 1 17 1 0 0 0 0 0 0 -9.510100 -6.795300 13.317400 1XA 0 -0.15000 -0.15000 UNCH C5 9
2 9 1 11 2 18 1 0 0 0 0 0 0 -8.412800 -5.945100 13.146200 1XA 0 -0.15000 -0.15000 UNCH C6 10
2 6 1 10 2 12 1 0 0 0 0 0 0 -8.391100 -4.784700 13.895300 1XA 0 0.08620 0.08620 UNCH C7 11
2 2 1 4 2 11 1 0 0 0 0 0 0 -7.390800 -3.716500 13.949400 1XA 0 0.54380 0.54380 UNCH C8 12
43 1 1 0 0 0 0 0 0 0 0 0 0 -6.214900 -1.792500 15.111800 1XA 0 0.36000 0.36000 UNCH H5 13
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.417500 -1.416500 16.166000 1XA 0 0.36000 0.36000 UNCH H6 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.284300 -5.035500 15.675900 1XA 0 0.15000 0.15000 UNCH H1 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -11.385500 -7.152600 14.337900 1XA 0 0.15000 0.15000 UNCH H2 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.569500 -7.720300 12.745900 1XA 0 0.15000 0.15000 UNCH H3 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.610400 -6.183900 12.455400 1XA 0 0.15000 0.15000 UNCH H4 18
27 [COYVIV,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 5 1 0 0 0 0 0 0 0 0 -10.096700 -4.946200 16.705500 1XA 0 -0.08000 -0.08000 UNCH S11 1
2 1 1 3 2 12 1 0 0 0 0 0 0 -10.771300 -3.366100 16.748100 1XA 0 0.46210 0.46210 UNCH C21 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -10.008900 -2.447200 16.197500 1XA 0 -0.33810 -0.33810 UNCH N31 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -8.834900 -2.966700 15.696700 1XA 0 -0.33810 -0.33810 UNCH N41 4
2 1 1 4 2 6 1 0 0 0 0 0 0 -8.754400 -4.269300 15.877600 1XA 0 0.32510 0.32510 UNCH C51 5
2 5 1 7 2 11 1 0 0 0 0 0 0 -7.653500 -5.104500 15.404500 1XA 0 0.05300 0.05300 UNCH C61 6
2 6 2 8 1 20 1 0 0 0 0 0 0 -6.835200 -5.756200 16.345100 1XA 0 -0.15000 -0.15000 UNCH C71 7
2 7 1 9 2 21 1 0 0 0 0 0 0 -5.743600 -6.526800 15.936500 1XA 0 -0.15000 -0.15000 UNCH C81 8
2 8 2 10 1 22 1 0 0 0 0 0 0 -5.448500 -6.657000 14.582300 1XA 0 -0.15000 -0.15000 UNCH C91 9
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2 6 1 10 2 13 1 0 0 0 0 0 0 -7.338100 -5.239400 14.040700 1XA 0 -0.00900 -0.00900 UNCH C111 11
25 2 1 18 1 19 1 0 0 0 0 0 0 -11.980000 -3.129800 17.295300 1XA 0 -0.88400 -0.88400 UNCH N121 12
49 11 1 14 2 15 2 16 1 0 0 0 0 -8.362700 -4.501700 12.781300 1XA 0 1.44700 1.44700 UNCH S131 13
15 13 2 0 0 0 0 0 0 0 0 0 0 -9.737600 -4.801800 13.112700 1XA 0 -0.65000 -0.65000 UNCH O141 14
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25 13 1 17 1 24 1 0 0 0 0 0 0 -8.122100 -2.852800 12.986000 1XA 0 -0.91370 -0.91370 UNCH N161 16
3 16 1 25 1 26 1 27 1 0 0 0 0 -6.778000 -2.310900 12.823100 1XA 0 0.35570 0.35570 UNCH C171 17
43 12 1 0 0 0 0 0 0 0 0 0 0 -12.630700 -3.907100 17.311701 1XA 0 0.40000 0.40000 UNCH H1 18
43 12 1 0 0 0 0 0 0 0 0 0 0 -12.414400 -2.259300 17.005301 1XA 0 0.40000 0.40000 UNCH H2 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.034600 -5.658300 17.411600 1XA 0 0.15000 0.15000 UNCH H3 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -5.121700 -7.023800 16.678101 1XA 0 0.15000 0.15000 UNCH H4 21
41 9 1 0 0 0 0 0 0 0 0 0 0 -4.601200 -7.261100 14.264600 1XA 0 0.15000 0.15000 UNCH H5 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.008800 -6.140600 12.576300 1XA 0 0.15000 0.15000 UNCH H6 23
43 16 1 0 0 0 0 0 0 0 0 0 0 -8.672900 -2.473700 13.766700 1XA 0 0.42000 0.42000 UNCH H7 24
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.289100 -2.706900 11.929600 1XA 0 0.00000 0.00000 UNCH H8 25
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.169000 -2.521300 13.706000 1XA 0 0.00000 0.00000 UNCH H9 26
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.847300 -1.224700 12.713000 1XA 0 0.00000 0.00000 UNCH H10 27
29 [CUBTUO,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 10 1 11 2 17 1 0 0 0 0 0 0 -10.619100 -2.833900 13.707500 1XA 0 -0.70000 -0.70000 CUBT N1 1
25 11 1 12 1 19 1 0 0 0 0 0 0 -12.617800 -2.111100 13.897800 1XA 0 -0.70000 -0.70000 CUBT N2 2
2 4 2 8 1 9 1 0 0 0 0 0 0 -8.883300 -4.470400 15.327300 1XA 0 -0.14350 -0.14350 CUBT C1 3
2 3 2 5 1 13 1 0 0 0 0 0 0 -8.619200 -5.572600 14.474100 1XA 0 -0.14350 -0.14350 CUBT C2 4
2 4 1 6 2 14 1 0 0 0 0 0 0 -7.297300 -5.786200 14.015400 1XA 0 -0.14350 -0.14350 CUBT C3 5
2 5 2 7 1 15 1 0 0 0 0 0 0 -6.284100 -4.880100 14.365400 1XA 0 -0.15000 -0.15000 CUBT C4 6
2 6 1 8 2 16 1 0 0 0 0 0 0 -6.553100 -3.788800 15.183100 1XA 0 -0.15000 -0.15000 CUBT C5 7
2 3 1 7 2 29 1 0 0 0 0 0 0 -7.840900 -3.587000 15.664500 1XA 0 -0.15000 -0.15000 CUBT C6 8
3 3 1 10 1 21 1 22 1 0 0 0 0 -10.268200 -4.162800 15.858800 1XA 0 0.31150 0.31150 CUBT C7 9
2 1 1 9 1 12 2 0 0 0 0 0 0 -11.074700 -3.319600 14.933400 1XA 0 0.18200 0.18200 CUBT C8 10
2 1 2 2 1 18 1 0 0 0 0 0 0 -11.552700 -2.108500 13.092500 1XA 0 0.65000 0.65000 CUBT C9 11
2 2 1 10 2 20 1 0 0 0 0 0 0 -12.361000 -2.843700 15.036100 1XA 0 0.20000 0.20000 CUBT C10 12
3 4 1 23 1 24 1 25 1 0 0 0 0 -9.713000 -6.552700 14.120000 1XA 0 0.14350 0.14350 CUBT C11 13
3 5 1 26 1 27 1 28 1 0 0 0 0 -6.928200 -6.964400 13.149900 1XA 0 0.14350 0.14350 CUBT C12 14
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.264300 -5.032500 14.013900 1XA 0 0.15000 0.15000 CUBT H1 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.750800 -3.107400 15.457900 1XA 0 0.15000 0.15000 CUBT H2 16
43 1 1 0 0 0 0 0 0 0 0 0 0 -9.686100 -3.016900 13.334900 1XA 0 0.45000 0.45000 CUBT H3 17
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.464800 -1.615700 12.131200 1XA 0 0.15000 0.15000 CUBT H4 18
43 2 1 0 0 0 0 0 0 0 0 0 0 -13.492500 -1.633700 13.689200 1XA 0 0.45000 0.45000 CUBT H5 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -13.136400 -2.931000 15.778000 1XA 0 0.15000 0.15000 CUBT H6 20
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.815300 -5.087200 16.074301 1XA 0 0.00000 0.00000 CUBT H7 21
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.188200 -3.633700 16.816900 1XA 0 0.00000 0.00000 CUBT H8 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.663700 -6.041300 13.942900 1XA 0 0.00000 0.00000 CUBT H9 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.499800 -7.097600 13.196200 1XA 0 0.00000 0.00000 CUBT H10 24
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.839100 -7.276300 14.931300 1XA 0 0.00000 0.00000 CUBT H11 25
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.254600 -7.899500 13.616300 1XA 0 0.00000 0.00000 CUBT H12 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.385900 -6.864100 12.160800 1XA 0 0.00000 0.00000 CUBT H13 27
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.844400 -7.037400 13.009200 1XA 0 0.00000 0.00000 CUBT H14 28
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.020900 -2.734700 16.318100 1XA 0 0.15000 0.15000 CUBT H15 29
27 [CUCDAF,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 21 1 4 1 0 0 0 0 0 0 0 0 -8.783900 -3.184500 11.643200 1XA 0 -0.68000 -0.68000 CUCD O1 1
16 6 1 5 1 0 0 0 0 0 0 0 0 -6.371600 -3.054300 13.420900 1XA 0 -0.29600 -0.29600 CUCD O2 2
15 7 2 0 0 0 0 0 0 0 0 0 0 -6.677700 -4.876700 16.343500 1XA 0 -0.57000 -0.57000 CUCD O3 3
3 1 1 14 1 12 1 5 1 0 0 0 0 -8.500100 -4.124600 12.676700 1XA 0 0.51850 0.51850 CUCD C1 4
3 2 1 4 1 16 1 6 1 0 0 0 0 -6.997200 -4.173300 12.774900 1XA 0 -0.04700 -0.04700 CUCD C2 5
3 2 1 5 1 17 1 7 1 0 0 0 0 -6.325200 -4.331500 14.097100 1XA 0 0.04800 0.04800 CUCD C3 6
2 3 2 6 1 13 1 0 0 0 0 0 0 -7.149500 -4.417800 15.312000 1XA 0 0.48380 0.48380 CUCD C4 7
2 18 1 13 1 9 2 0 0 0 0 0 0 -9.189000 -3.650900 16.448400 1XA 0 -0.15000 -0.15000 CUCD C5 8
2 8 2 19 1 10 1 0 0 0 0 0 0 -10.478800 -3.141600 16.458099 1XA 0 -0.15000 -0.15000 CUCD C6 9
2 9 1 20 1 11 2 0 0 0 0 0 0 -11.133500 -2.910900 15.253400 1XA 0 -0.15000 -0.15000 CUCD C7 10
2 10 2 15 1 12 1 0 0 0 0 0 0 -10.522900 -3.202600 14.016300 1XA 0 -0.14350 -0.14350 CUCD C8 11
2 4 1 11 1 13 2 0 0 0 0 0 0 -9.196500 -3.719700 13.986200 1XA 0 -0.14350 -0.14350 CUCD C9 12
2 7 1 8 1 12 2 0 0 0 0 0 0 -8.549200 -3.927700 15.231200 1XA 0 0.08620 0.08620 CUCD C10 13
3 4 1 24 1 23 1 22 1 0 0 0 0 -9.000200 -5.506300 12.228000 1XA 0 0.00000 0.00000 CUCD C11 14
3 11 1 27 1 26 1 25 1 0 0 0 0 -11.327900 -2.893200 12.777500 1XA 0 0.14350 0.14350 CUCD C12 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.515500 -4.558200 11.885400 1XA 0 0.10000 0.10000 CUCD H2 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.369200 -4.839100 14.129800 1XA 0 0.10000 0.10000 CUCD H3 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.674200 -3.819700 17.392799 1XA 0 0.15000 0.15000 CUCD H5 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.971100 -2.917100 17.400900 1XA 0 0.15000 0.15000 CUCD H6 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -12.142200 -2.500300 15.282800 1XA 0 0.15000 0.15000 CUCD H7 20
42 1 1 0 0 0 0 0 0 0 0 0 0 -8.465700 -2.323200 11.971000 1XA 0 0.40000 0.40000 CUCD H101 21
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.084300 -5.530500 12.083500 1XA 0 0.00000 0.00000 CUCD H111 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.556500 -5.787100 11.265200 1XA 0 0.00000 0.00000 CUCD H112 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.742200 -6.283100 12.957100 1XA 0 0.00000 0.00000 CUCD H113 24
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.965800 -1.970100 12.314600 1XA 0 0.00000 0.00000 CUCD H121 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.295100 -3.710400 12.054500 1XA 0 0.00000 0.00000 CUCD H122 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -12.386800 -2.745800 13.019300 1XA 0 0.00000 0.00000 CUCD H123 27
29 [CUCHOX,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 9 1 16 1 0 0 0 0 0 0 0 0 -7.290600 -6.578500 14.654300 1XA 0 -0.68000 -0.68000 UNCH O2 1
3 11 1 24 1 25 1 26 1 0 0 0 0 -10.423700 -2.317000 12.558400 1XA 0 0.06100 0.06100 UNCH C10 2
15 8 2 0 0 0 0 0 0 0 0 0 0 -7.903600 -2.406800 14.610000 1XA 0 -0.57000 -0.57000 UNCH O3 3
2 6 1 7 1 14 2 0 0 0 0 0 0 -9.923000 -5.334400 12.659200 1XA 0 0.50900 0.50900 UNCH C2 4
15 11 2 0 0 0 0 0 0 0 0 0 0 -11.391500 -2.753800 14.711400 1XA 0 -0.57000 -0.57000 UNCH O4 5
3 4 1 10 1 11 1 12 1 0 0 0 0 -10.004700 -4.473500 13.869700 1XA 0 0.00000 0.00000 UNCH C1 6
3 4 1 9 1 19 1 20 1 0 0 0 0 -8.663200 -6.159800 12.674400 1XA 0 0.06100 0.06100 UNCH C3 7
2 3 2 10 1 15 1 0 0 0 0 0 0 -8.077500 -3.425400 15.267400 1XA 0 0.50900 0.50900 UNCH C7 8
3 1 1 7 1 10 1 13 1 0 0 0 0 -7.791400 -5.552900 13.797600 1XA 0 0.37500 0.37500 UNCH C4 9
3 6 1 8 1 9 1 12 1 0 0 0 0 -8.685600 -4.626200 14.618700 1XA 0 -0.09500 -0.09500 UNCH C5 10
2 2 1 5 2 6 1 0 0 0 0 0 0 -10.672000 -3.136400 13.793500 1XA 0 0.50900 0.50900 UNCH C9 11
3 6 1 10 1 17 1 18 1 0 0 0 0 -9.969100 -5.180700 15.217200 1XA 0 -0.20000 -0.20000 UNCH C6 12
3 9 1 21 1 22 1 23 1 0 0 0 0 -6.579300 -4.843900 13.190400 1XA 0 0.00000 0.00000 UNCH C11 13
15 4 2 0 0 0 0 0 0 0 0 0 0 -10.799100 -5.385900 11.812100 1XA 0 -0.57000 -0.57000 UNCH O1 14
3 8 1 27 1 28 1 29 1 0 0 0 0 -7.711200 -3.555800 16.716400 1XA 0 0.06100 0.06100 UNCH C8 15
42 1 1 0 0 0 0 0 0 0 0 0 0 -8.020500 -7.156700 14.933300 1XA 0 0.40000 0.40000 UNCH H2 16
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.415800 -4.673800 16.068701 1XA 0 0.10000 0.10000 UNCH H61 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.142600 -6.250600 15.240100 1XA 0 0.10000 0.10000 UNCH H62 18
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.930500 -7.201400 12.880000 1XA 0 0.00000 0.00000 UNCH H31 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.184500 -6.100300 11.692200 1XA 0 0.00000 0.00000 UNCH H32 20
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.913100 -4.456200 13.969500 1XA 0 0.00000 0.00000 UNCH H111 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.977100 -5.544500 12.600100 1XA 0 0.00000 0.00000 UNCH H112 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.876600 -4.012300 12.543000 1XA 0 0.00000 0.00000 UNCH H113 23
41 2 1 0 0 0 0 0 0 0 0 0 0 -10.491300 -1.255200 12.811100 1XA 0 0.00000 0.00000 UNCH H101 24
41 2 1 0 0 0 0 0 0 0 0 0 0 -11.173700 -2.559800 11.802100 1XA 0 0.00000 0.00000 UNCH H102 25
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.422800 -2.509000 12.163100 1XA 0 0.00000 0.00000 UNCH H103 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -6.910000 -2.850000 16.952101 1XA 0 0.00000 0.00000 UNCH H81 27
41 15 1 0 0 0 0 0 0 0 0 0 0 -7.350800 -4.566100 16.926800 1XA 0 0.00000 0.00000 UNCH H82 28
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.584000 -3.335900 17.335600 1XA 0 0.00000 0.00000 UNCH H83 29
25 [CUCHUD,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 7 1 0 0 0 0 0 0 0 0 -8.531000 -4.679900 13.845700 1XA 0 -0.15750 -0.15750 UNCH S1 1
2 1 1 3 2 6 1 0 0 0 0 0 0 -8.685700 -2.951300 13.965700 1XA 0 -0.09560 -0.09560 UNCH C2 2
2 2 2 4 1 13 1 0 0 0 0 0 0 -8.337600 -2.011000 14.918700 1XA 0 0.30620 0.30620 UNCH C3 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -8.706300 -0.734900 14.519500 1XA 0 -0.56530 -0.56530 UNCH N4 4
2 4 2 6 1 18 1 0 0 0 0 0 0 -9.274500 -0.902100 13.347300 1XA 0 0.03650 0.03650 UNCH C5 5
25 2 1 5 1 16 1 0 0 0 0 0 0 -9.282600 -2.218200 12.966500 1XA 0 0.04760 0.04760 UNCH N6 6
2 1 1 8 2 12 1 0 0 0 0 0 0 -9.176100 -5.179100 15.442400 1XA 0 0.41150 0.41150 UNCH C7 7
25 7 2 9 1 0 0 0 0 0 0 0 0 -10.126500 -4.381500 15.998000 1XA 0 -0.62000 -0.62000 UNCH N8 8
2 8 1 10 2 19 1 0 0 0 0 0 0 -10.598900 -4.732300 17.213499 1XA 0 0.16000 0.16000 UNCH C9 9
2 9 2 11 1 20 1 0 0 0 0 0 0 -10.180900 -5.854700 17.907900 1XA 0 -0.15000 -0.15000 UNCH C10 10
2 10 1 12 2 21 1 0 0 0 0 0 0 -9.219300 -6.673700 17.324499 1XA 0 -0.15000 -0.15000 UNCH C11 11
2 7 1 11 2 17 1 0 0 0 0 0 0 -8.708100 -6.336100 16.073900 1XA 0 0.08250 0.08250 UNCH C12 12
31 3 1 14 1 15 2 0 0 0 0 0 0 -7.660300 -2.198800 16.178699 1XA 0 0.96100 0.96100 UNCH N13 13
18 13 1 0 0 0 0 0 0 0 0 0 0 -6.835400 -3.122500 16.252399 1XA 0 -0.52000 -0.52000 UNCH O14 14
15 13 2 0 0 0 0 0 0 0 0 0 0 -7.933400 -1.411000 17.096600 1XA 0 -0.52000 -0.52000 UNCH O15 15
3 6 1 22 1 23 1 24 1 0 0 0 0 -9.851800 -2.706200 11.732300 1XA 0 0.25560 0.25560 UNCH C16 16
16 12 1 25 1 0 0 0 0 0 0 0 0 -7.763500 -7.133800 15.489400 1XA 0 -0.53250 -0.53250 UNCH O17 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.694100 -0.111900 12.736700 1XA 0 0.15000 0.15000 UNCH H5 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -11.346400 -4.062500 17.630501 1XA 0 0.15000 0.15000 UNCH H9 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.595400 -6.085400 18.883400 1XA 0 0.15000 0.15000 UNCH H10 20
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.883300 -7.560400 17.852301 1XA 0 0.15000 0.15000 UNCH H11 21
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.066700 -3.202600 11.156400 1XA 0 0.00000 0.00000 UNCH H161 22
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.662800 -3.399300 11.970100 1XA 0 0.00000 0.00000 UNCH H162 23
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.248800 -1.866200 11.155900 1XA 0 0.00000 0.00000 UNCH H163 24
42 17 1 0 0 0 0 0 0 0 0 0 0 -7.454200 -7.789500 16.135401 1XA 0 0.45000 0.45000 UNCH H17 25
23 [CUDJAM,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 13 2 0 0 0 0 0 0 0 0 0 0 -6.607000 -3.004700 11.794200 1XA 0 -0.57000 -0.57000 UNCH O1 1
16 6 1 14 1 0 0 0 0 0 0 0 0 -10.430700 -7.093900 13.727500 1XA 0 -0.33700 -0.33700 UNCH O2 2
16 5 1 15 1 0 0 0 0 0 0 0 0 -9.218700 -2.520200 17.068001 1XA 0 -0.33700 -0.33700 UNCH O3 3
25 9 1 10 1 11 1 0 0 0 0 0 0 -8.692000 -5.018900 13.691000 1XA 0 -0.38800 -0.38800 UNCH N1 4
25 3 1 8 2 0 0 0 0 0 0 0 0 -8.899600 -3.535200 16.158001 1XA 0 -0.51300 -0.51300 UNCH N2 5
25 2 1 9 2 0 0 0 0 0 0 0 0 -10.683800 -6.051600 14.629100 1XA 0 -0.51300 -0.51300 UNCH N3 6
25 13 1 16 1 17 1 0 0 0 0 0 0 -6.636500 -2.957000 14.070100 1XA 0 -0.80000 -0.80000 UNCH N4 7
2 5 2 9 1 12 1 0 0 0 0 0 0 -9.967900 -3.972900 15.550400 1XA 0 0.38900 0.38900 UNCH C1 8
2 4 1 6 2 8 1 0 0 0 0 0 0 -9.791400 -5.107100 14.534300 1XA 0 0.50000 0.50000 UNCH C2 9
3 4 1 11 1 18 1 19 1 0 0 0 0 -8.850600 -5.134400 12.250100 1XA 0 -0.03100 -0.03100 UNCH C3 10
3 4 1 10 1 13 1 20 1 0 0 0 0 -8.539800 -3.799300 12.890500 1XA 0 0.06900 0.06900 UNCH C4 11
3 8 1 21 1 22 1 23 1 0 0 0 0 -11.370200 -3.473300 15.770700 1XA 0 0.06100 0.06100 UNCH C5 12
2 1 2 7 1 11 1 0 0 0 0 0 0 -7.179000 -3.229600 12.850400 1XA 0 0.63000 0.63000 UNCH C6 13
42 2 1 0 0 0 0 0 0 0 0 0 0 -11.098000 -7.758800 13.979400 1XA 0 0.40000 0.40000 UNCH H2 14
42 3 1 0 0 0 0 0 0 0 0 0 0 -8.372500 -2.363400 17.528000 1XA 0 0.40000 0.40000 UNCH H3 15
43 7 1 0 0 0 0 0 0 0 0 0 0 -5.671900 -2.661800 14.113400 1XA 0 0.37000 0.37000 UNCH H14 16
43 7 1 0 0 0 0 0 0 0 0 0 0 -7.102400 -3.260500 14.921500 1XA 0 0.37000 0.37000 UNCH H24 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.855500 -5.317000 11.897600 1XA 0 0.10000 0.10000 UNCH H13 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.051300 -5.685500 11.775500 1XA 0 0.10000 0.10000 UNCH H23 19
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.350500 -3.081900 12.930600 1XA 0 0.10000 0.10000 UNCH H4 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -12.003100 -3.711500 14.911400 1XA 0 0.00000 0.00000 UNCH H15 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.783700 -3.947700 16.664600 1XA 0 0.00000 0.00000 UNCH H25 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.377800 -2.387800 15.899000 1XA 0 0.00000 0.00000 UNCH H35 23
35 [CUDNEU,35,35,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
60 4 1 5 1 6 1 7 1 0 0 0 0 -8.406600 -6.259600 13.665700 1XA 0 0.32200 0.32200 UNCH SI1 1
16 7 1 13 1 0 0 0 0 0 0 0 0 -9.006500 -4.419400 15.909700 1XA 0 -0.56000 -0.56000 UNCH O1 2
16 12 1 14 1 0 0 0 0 0 0 0 0 -9.967000 -3.754000 12.332500 1XA 0 -0.68000 -0.68000 UNCH O2 3
3 1 1 15 1 16 1 17 1 0 0 0 0 -9.998100 -7.199800 13.352600 1XA 0 -0.08050 -0.08050 UNCH C1 4
3 1 1 18 1 19 1 20 1 0 0 0 0 -7.343200 -7.133900 14.943000 1XA 0 -0.08050 -0.08050 UNCH C2 5
3 1 1 21 1 22 1 23 1 0 0 0 0 -7.452600 -6.041700 12.066300 1XA 0 -0.08050 -0.08050 UNCH C3 6
3 1 1 2 1 8 1 12 1 0 0 0 0 -8.882900 -4.378600 14.460500 1XA 0 0.19950 0.19950 UNCH C4 7
3 7 1 9 1 24 1 25 1 0 0 0 0 -7.659300 -3.448300 14.194500 1XA 0 0.00000 0.00000 UNCH C5 8
3 8 1 10 1 26 1 27 1 0 0 0 0 -7.929500 -2.012400 14.655200 1XA 0 0.00000 0.00000 UNCH C6 9
3 9 1 11 1 28 1 29 1 0 0 0 0 -9.190400 -1.437800 14.016500 1XA 0 0.00000 0.00000 UNCH C7 10
3 10 1 12 1 30 1 31 1 0 0 0 0 -10.405100 -2.342500 14.228700 1XA 0 0.00000 0.00000 UNCH C8 11
3 3 1 7 1 11 1 32 1 0 0 0 0 -10.141500 -3.779400 13.752200 1XA 0 0.28000 0.28000 UNCH C9 12
3 2 1 33 1 34 1 35 1 0 0 0 0 -10.146300 -5.062200 16.456900 1XA 0 0.28000 0.28000 UNCH C10 13
42 3 1 0 0 0 0 0 0 0 0 0 0 -10.753400 -3.330800 11.946200 1XA 0 0.40000 0.40000 UNCH H1 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.778600 -8.190700 12.943300 1XA 0 0.00000 0.00000 UNCH H11 15
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.627600 -6.670000 12.631800 1XA 0 0.00000 0.00000 UNCH H12 16
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.572300 -7.336400 14.272200 1XA 0 0.00000 0.00000 UNCH H13 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.892000 -7.273800 15.878500 1XA 0 0.00000 0.00000 UNCH H21 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.442200 -6.551800 15.157300 1XA 0 0.00000 0.00000 UNCH H22 19
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.036200 -8.118100 14.576900 1XA 0 0.00000 0.00000 UNCH H23 20
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.235200 -7.016000 11.618100 1XA 0 0.00000 0.00000 UNCH H31 21
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.025600 -5.456900 11.341500 1XA 0 0.00000 0.00000 UNCH H32 22
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.500200 -5.534000 12.243900 1XA 0 0.00000 0.00000 UNCH H33 23
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.404200 -3.426500 13.128300 1XA 0 0.00000 0.00000 UNCH H51 24
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.777500 -3.819000 14.732800 1XA 0 0.00000 0.00000 UNCH H52 25
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.070700 -1.380400 14.401300 1XA 0 0.00000 0.00000 UNCH H61 26
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.027600 -1.984100 15.747100 1XA 0 0.00000 0.00000 UNCH H62 27
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.394800 -0.446100 14.436000 1XA 0 0.00000 0.00000 UNCH H71 28
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.020600 -1.295700 12.942200 1XA 0 0.00000 0.00000 UNCH H72 29
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.252900 -1.917700 13.677900 1XA 0 0.00000 0.00000 UNCH H81 30
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.677200 -2.339400 15.290200 1XA 0 0.00000 0.00000 UNCH H82 31
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.027700 -4.390400 13.953400 1XA 0 0.00000 0.00000 UNCH H91 32
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.193700 -6.113300 16.170601 1XA 0 0.00000 0.00000 UNCH H101 33
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.060600 -5.019600 17.546700 1XA 0 0.00000 0.00000 UNCH H102 34
41 13 1 0 0 0 0 0 0 0 0 0 0 -11.069800 -4.549200 16.179701 1XA 0 0.00000 0.00000 UNCH H103 35
17 [CUDPAS,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 2 6 1 0 0 0 0 0 0 0 0 -8.650000 -7.028200 14.668500 1XA 0 -0.62000 -0.62000 CUDP N1 1
2 1 2 3 1 14 1 0 0 0 0 0 0 -8.429500 -6.167200 15.685700 1XA 0 0.16000 0.16000 CUDP C2 2
2 2 1 4 2 15 1 0 0 0 0 0 0 -8.461700 -4.792000 15.548900 1XA 0 -0.15000 -0.15000 CUDP C3 3
2 3 2 5 1 8 1 0 0 0 0 0 0 -8.720400 -4.253100 14.285100 1XA 0 0.08620 0.08620 CUDP C4 4
2 4 1 6 2 7 1 0 0 0 0 0 0 -8.919800 -5.109700 13.203600 1XA 0 0.08250 0.08250 CUDP C5 5
2 1 1 5 2 16 1 0 0 0 0 0 0 -8.879000 -6.474800 13.452800 1XA 0 0.16000 0.16000 CUDP C6 6
16 5 1 17 1 0 0 0 0 0 0 0 0 -9.133300 -4.722400 11.911600 1XA 0 -0.53250 -0.53250 CUDP O7 7
2 4 1 9 2 11 1 0 0 0 0 0 0 -8.808100 -2.791800 14.169900 1XA 0 0.52880 0.52880 CUDP C8 8
25 8 2 10 1 0 0 0 0 0 0 0 0 -8.014000 -1.818800 14.507800 1XA 0 -0.80000 -0.80000 CUDP N9 9
18 9 1 0 0 0 0 0 0 0 0 0 0 -6.808200 -2.194900 15.037200 1XA 0 -0.65000 -0.65000 CUDP O10 10
31 8 1 12 1 13 2 0 0 0 0 0 0 -10.027400 -2.252200 13.558500 1XA 0 0.87500 0.87500 CUDP N11 11
18 11 1 0 0 0 0 0 0 0 0 0 0 -11.023100 -2.116700 14.290200 1XA 0 -0.52000 -0.52000 CUDP O12 12
15 11 2 0 0 0 0 0 0 0 0 0 0 -10.002800 -2.093500 12.322400 1XA 0 -0.52000 -0.52000 CUDP O13 13
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.220500 -6.624000 16.648300 1XA 0 0.15000 0.15000 CUDP H1 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.275900 -4.142500 16.399799 1XA 0 0.15000 0.15000 CUDP H2 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -9.029100 -7.185200 12.645200 1XA 0 0.15000 0.15000 CUDP H3 16
42 7 1 0 0 0 0 0 0 0 0 0 0 -8.977600 -3.761700 11.804300 1XA 0 0.45000 0.45000 CUDP H4 17
25 [CUDPOG,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 5 2 0 0 0 0 0 0 0 0 0 0 -11.557900 -5.009300 15.103100 1XA 0 -0.38000 -0.38000 UNCH S1 1
25 5 1 6 1 9 1 0 0 0 0 0 0 -8.993700 -3.975200 15.299700 1XA 0 -0.47710 -0.47710 UNCH N1 2
25 4 2 5 1 0 0 0 0 0 0 0 0 -10.388200 -3.587100 17.052099 1XA 0 -0.21100 -0.21100 UNCH N3 3
25 3 2 6 1 0 0 0 0 0 0 0 0 -9.354500 -2.919900 17.299500 1XA 0 -0.24600 -0.24600 UNCH N4 4
2 1 2 2 1 3 1 0 0 0 0 0 0 -10.268000 -4.206100 15.821600 1XA 0 0.65100 0.65100 UNCH C2 5
3 2 1 4 1 7 1 8 1 0 0 0 0 -8.415000 -2.968900 16.152000 1XA 0 0.54610 0.54610 UNCH C5 6
3 6 1 23 1 24 1 25 1 0 0 0 0 -7.044200 -3.330700 16.731701 1XA 0 0.00000 0.00000 UNCH C6 7
3 6 1 20 1 21 1 22 1 0 0 0 0 -8.436400 -1.551500 15.558700 1XA 0 0.00000 0.00000 UNCH C7 8
2 2 1 10 2 14 1 0 0 0 0 0 0 -8.318800 -4.638600 14.233500 1XA 0 0.11700 0.11700 UNCH C8 9
2 9 2 11 1 15 1 0 0 0 0 0 0 -8.613900 -5.968300 13.897200 1XA 0 -0.15000 -0.15000 UNCH C9 10
2 10 1 12 2 16 1 0 0 0 0 0 0 -7.942100 -6.633700 12.863900 1XA 0 -0.15000 -0.15000 UNCH C10 11
2 11 2 13 1 17 1 0 0 0 0 0 0 -6.945200 -5.984900 12.148200 1XA 0 -0.15000 -0.15000 UNCH C11 12
2 12 1 14 2 18 1 0 0 0 0 0 0 -6.615600 -4.676400 12.475900 1XA 0 -0.15000 -0.15000 UNCH C12 13
2 9 1 13 2 19 1 0 0 0 0 0 0 -7.290600 -4.016400 13.511500 1XA 0 -0.15000 -0.15000 UNCH C13 14
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.339600 -6.549800 14.457100 1XA 0 0.15000 0.15000 UNCH H9 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.197400 -7.664700 12.630900 1XA 0 0.15000 0.15000 UNCH H10 16
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.423400 -6.498900 11.345500 1XA 0 0.15000 0.15000 UNCH H11 17
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.833100 -4.160700 11.924500 1XA 0 0.15000 0.15000 UNCH H12 18
41 14 1 0 0 0 0 0 0 0 0 0 0 -6.991000 -2.995200 13.704200 1XA 0 0.15000 0.15000 UNCH H13 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.218300 -0.804200 16.331301 1XA 0 0.00000 0.00000 UNCH H61 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.422700 -1.310700 15.144500 1XA 0 0.00000 0.00000 UNCH H62 21
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.703200 -1.408400 14.763500 1XA 0 0.00000 0.00000 UNCH H63 22
41 7 1 0 0 0 0 0 0 0 0 0 0 -6.751700 -2.622400 17.515800 1XA 0 0.00000 0.00000 UNCH H71 23
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.059500 -4.329000 17.184799 1XA 0 0.00000 0.00000 UNCH H72 24
41 7 1 0 0 0 0 0 0 0 0 0 0 -6.255800 -3.321500 15.974000 1XA 0 0.00000 0.00000 UNCH H73 25
11 [CUDREY,11,11,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 6 1 4 1 0 0 0 0 0 0 0 0 -9.471300 -5.309000 13.587000 1XA 0 -0.13300 -0.13300 CUDR S1 1
25 7 1 5 1 4 2 0 0 0 0 0 0 -8.307300 -3.569900 15.051400 1XA 0 -0.68300 -0.68300 CUDR N1 2
25 11 1 10 1 4 1 0 0 0 0 0 0 -10.625200 -3.655700 15.349200 1XA 0 -0.73200 -0.73200 CUDR N2 3
2 1 1 2 2 3 1 0 0 0 0 0 0 -9.513700 -4.064700 14.778000 1XA 0 0.82500 0.82500 CUDR C1 4
2 2 1 8 1 6 2 0 0 0 0 0 0 -7.296700 -4.167200 14.317500 1XA 0 0.18300 0.18300 CUDR C2 5
2 1 1 5 2 9 1 0 0 0 0 0 0 -7.761100 -5.141700 13.466200 1XA 0 -0.11000 -0.11000 CUDR C3 6
43 2 1 0 0 0 0 0 0 0 0 0 0 -8.171400 -2.829200 15.734000 1XA 0 0.45000 0.45000 CUDR H1 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.260500 -3.866300 14.434300 1XA 0 0.15000 0.15000 CUDR H2 8
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.193700 -5.761600 12.783400 1XA 0 0.15000 0.15000 CUDR H3 9
43 3 1 0 0 0 0 0 0 0 0 0 0 -10.610000 -2.924500 16.042500 1XA 0 0.45000 0.45000 CUDR H4 10
43 3 1 0 0 0 0 0 0 0 0 0 0 -11.481600 -4.109400 15.057600 1XA 0 0.45000 0.45000 CUDR H5 11
37 [CUFFAK,37,37,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 10 1 15 1 0 0 0 0 0 0 0 0 -12.103200 -1.475000 18.571501 1XA 0 -0.53250 -0.53250 UNCH O1 1
2 4 2 28 1 37 1 0 0 0 0 0 0 -6.683200 -7.255400 15.827300 1XA 0 -0.15000 -0.15000 UNCH C17 2
16 12 1 31 1 0 0 0 0 0 0 0 0 -6.916200 -0.479400 10.868100 1XA 0 -0.53250 -0.53250 UNCH O2 3
2 2 2 6 1 30 1 0 0 0 0 0 0 -6.354700 -5.942700 16.206301 1XA 0 -0.15000 -0.15000 UNCH C18 4
16 11 1 34 1 0 0 0 0 0 0 0 0 -8.962500 -1.370100 15.009200 1XA 0 -0.16500 -0.16500 UNCH O3 5
2 4 1 32 1 35 2 0 0 0 0 0 0 -7.147800 -4.862500 15.805400 1XA 0 -0.15000 -0.15000 UNCH C19 6
16 8 1 23 1 0 0 0 0 0 0 0 0 -10.180400 -5.099800 13.743900 1XA 0 -0.43000 -0.43000 UNCH O4 7
2 7 1 9 2 36 1 0 0 0 0 0 0 -9.783200 -6.401100 13.850100 1XA 0 0.63380 0.63380 UNCH C20 8
15 8 2 0 0 0 0 0 0 0 0 0 0 -10.329900 -7.366900 13.357300 1XA 0 -0.57000 -0.57000 UNCH O5 9
42 1 1 0 0 0 0 0 0 0 0 0 0 -11.846300 -0.538200 18.582800 1XA 0 0.45000 0.45000 UNCH H1 10
2 5 1 13 2 21 1 0 0 0 0 0 0 -9.849200 -2.112800 15.751700 1XA 0 0.08250 0.08250 UNCH C1 11
42 3 1 0 0 0 0 0 0 0 0 0 0 -6.685100 -0.910400 10.028700 1XA 0 0.45000 0.45000 UNCH H2 12
2 11 2 14 1 15 1 0 0 0 0 0 0 -10.511600 -1.426400 16.773600 1XA 0 -0.15000 -0.15000 UNCH C2 13
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.304100 -0.372500 16.928400 1XA 0 0.15000 0.15000 UNCH H3 14
2 1 1 13 1 17 2 0 0 0 0 0 0 -11.429600 -2.103400 17.566799 1XA 0 0.08250 0.08250 UNCH C3 15
41 17 1 0 0 0 0 0 0 0 0 0 0 -12.412700 -3.968500 17.983101 1XA 0 0.15000 0.15000 UNCH H4 16
2 15 2 16 1 19 1 0 0 0 0 0 0 -11.690500 -3.450900 17.357201 1XA 0 -0.15000 -0.15000 UNCH C4 17
41 19 1 0 0 0 0 0 0 0 0 0 0 -11.236600 -5.193300 16.197901 1XA 0 0.15000 0.15000 UNCH H5 18
2 17 1 18 1 21 2 0 0 0 0 0 0 -11.020700 -4.136700 16.342199 1XA 0 -0.15000 -0.15000 UNCH C5 19
41 27 1 0 0 0 0 0 0 0 0 0 0 -8.341800 -4.672900 11.863400 1XA 0 0.15000 0.15000 UNCH H6 20
2 11 1 19 2 23 1 0 0 0 0 0 0 -10.085800 -3.473800 15.525200 1XA 0 -0.14350 -0.14350 UNCH C6 21
41 29 1 0 0 0 0 0 0 0 0 0 0 -7.302700 -3.070500 10.329300 1XA 0 0.15000 0.15000 UNCH H7 22
3 7 1 21 1 25 1 35 1 0 0 0 0 -9.291500 -4.190700 14.450500 1XA 0 0.71050 0.71050 UNCH C7 23
41 33 1 0 0 0 0 0 0 0 0 0 0 -7.819700 0.069600 13.221700 1XA 0 0.15000 0.15000 UNCH H8 24
2 23 1 27 2 34 1 0 0 0 0 0 0 -8.693900 -3.223800 13.445700 1XA 0 -0.14350 -0.14350 UNCH C8 25
41 37 1 0 0 0 0 0 0 0 0 0 0 -8.079000 -8.509800 14.739900 1XA 0 0.15000 0.15000 UNCH H9 26
2 20 1 25 2 29 1 0 0 0 0 0 0 -8.237900 -3.636300 12.178600 1XA 0 -0.15000 -0.15000 UNCH C9 27
41 2 1 0 0 0 0 0 0 0 0 0 0 -6.054500 -8.082800 16.149599 1XA 0 0.15000 0.15000 UNCH H10 28
2 22 1 27 1 31 2 0 0 0 0 0 0 -7.643300 -2.726000 11.301100 1XA 0 -0.15000 -0.15000 UNCH C10 29
41 4 1 0 0 0 0 0 0 0 0 0 0 -5.473200 -5.765800 16.819799 1XA 0 0.15000 0.15000 UNCH H11 30
2 3 1 29 2 33 1 0 0 0 0 0 0 -7.495400 -1.400100 11.689600 1XA 0 0.08250 0.08250 UNCH C11 31
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.888700 -3.849600 16.102400 1XA 0 0.15000 0.15000 UNCH H12 32
2 24 1 31 1 34 2 0 0 0 0 0 0 -7.937600 -0.971000 12.933900 1XA 0 -0.15000 -0.15000 UNCH C12 33
2 5 1 25 1 33 2 0 0 0 0 0 0 -8.543200 -1.879500 13.804100 1XA 0 0.08250 0.08250 UNCH C13 34
2 6 2 23 1 36 1 0 0 0 0 0 0 -8.266500 -5.119200 15.024600 1XA 0 -0.14350 -0.14350 UNCH C14 35
2 8 1 35 1 37 2 0 0 0 0 0 0 -8.575200 -6.414300 14.660800 1XA 0 0.08620 0.08620 UNCH C15 36
2 2 1 26 1 36 2 0 0 0 0 0 0 -7.809600 -7.502600 15.042100 1XA 0 -0.15000 -0.15000 UNCH C16 37
30 [CUGBEL,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 10 1 11 1 0 0 0 0 0 0 -9.582000 -4.434200 15.587600 1XA 0 0.18570 0.18570 UNCH C1 1
2 1 2 3 1 14 1 0 0 0 0 0 0 -9.048200 -3.607400 14.667500 1XA 0 0.06500 0.06500 UNCH C2 2
2 2 1 4 1 8 2 0 0 0 0 0 0 -7.654900 -3.811900 14.249900 1XA 0 -0.13820 -0.13820 UNCH C3 3
3 3 1 5 1 17 1 18 1 0 0 0 0 -7.080700 -2.918200 13.169800 1XA 0 0.13820 0.13820 UNCH C4 4
3 4 1 6 1 19 1 20 1 0 0 0 0 -5.749800 -3.416600 12.598400 1XA 0 0.00000 0.00000 UNCH C5 5
3 5 1 7 1 21 1 22 1 0 0 0 0 -4.821200 -3.898600 13.704400 1XA 0 0.00000 0.00000 UNCH C6 6
3 6 1 8 1 23 1 24 1 0 0 0 0 -5.463200 -5.037700 14.496600 1XA 0 0.13820 0.13820 UNCH C7 7
2 3 2 7 1 9 1 0 0 0 0 0 0 -6.908400 -4.782100 14.823800 1XA 0 -0.12380 -0.12380 UNCH C8 8
2 8 1 10 1 16 2 0 0 0 0 0 0 -7.516700 -5.664300 15.868100 1XA 0 0.61560 0.61560 UNCH C9 9
25 1 1 9 1 25 1 0 0 0 0 0 0 -8.828900 -5.416300 16.167101 1XA 0 -0.53900 -0.53900 UNCH N10 10
16 1 1 12 1 0 0 0 0 0 0 0 0 -10.862300 -4.311100 16.072500 1XA 0 -0.35670 -0.35670 UNCH O11 11
3 11 1 13 1 26 1 27 1 0 0 0 0 -11.739300 -5.283400 15.491400 1XA 0 0.28000 0.28000 UNCH C12 12
3 12 1 28 1 29 1 30 1 0 0 0 0 -13.144800 -5.006900 15.990700 1XA 0 0.00000 0.00000 UNCH C13 13
1 2 1 15 3 0 0 0 0 0 0 0 0 -9.832500 -2.551900 14.111000 1XA 0 0.49210 0.49210 UNCH C14 14
24 14 3 0 0 0 0 0 0 0 0 0 0 -10.454000 -1.696800 13.630800 1XA 0 -0.55710 -0.55710 UNCH N15 15
15 9 2 0 0 0 0 0 0 0 0 0 0 -6.884100 -6.557000 16.419500 1XA 0 -0.57000 -0.57000 UNCH O16 16
41 4 1 0 0 0 0 0 0 0 0 0 0 -6.935300 -1.913800 13.588100 1XA 0 0.00000 0.00000 UNCH H4 17
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.782900 -2.824900 12.332500 1XA 0 0.00000 0.00000 UNCH H41 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -5.270800 -2.612800 12.028000 1XA 0 0.00000 0.00000 UNCH H5 19
41 5 1 0 0 0 0 0 0 0 0 0 0 -5.936500 -4.238100 11.894900 1XA 0 0.00000 0.00000 UNCH H51 20
41 6 1 0 0 0 0 0 0 0 0 0 0 -3.869700 -4.236100 13.278300 1XA 0 0.00000 0.00000 UNCH H6 21
41 6 1 0 0 0 0 0 0 0 0 0 0 -4.590800 -3.063500 14.378300 1XA 0 0.00000 0.00000 UNCH H61 22
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.396300 -5.966400 13.916300 1XA 0 0.00000 0.00000 UNCH H7 23
41 7 1 0 0 0 0 0 0 0 0 0 0 -4.882200 -5.187000 15.414400 1XA 0 0.00000 0.00000 UNCH H71 24
43 10 1 0 0 0 0 0 0 0 0 0 0 -9.237700 -5.983400 16.897800 1XA 0 0.37000 0.37000 UNCH H10 25
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.718500 -5.209700 14.397300 1XA 0 0.00000 0.00000 UNCH H12 26
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.436200 -6.293500 15.791200 1XA 0 0.00000 0.00000 UNCH H121 27
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32 1 1 3 1 6 1 7 1 0 0 0 0 -8.709600 -3.718900 14.456100 1XA 0 -0.64100 -0.64100 CHGB N2 2
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32 [CYGUAN01,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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34 [DABHAP,34,34,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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2 2 1 4 2 22 1 0 0 0 0 0 0 -6.679700 -6.232500 14.774500 1XA 0 -0.15000 -0.15000 DABH C3 3
2 3 2 5 1 8 1 0 0 0 0 0 0 -7.843500 -5.785100 15.401100 1XA 0 -0.00900 -0.00900 DABH C4 4
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20 [DABLIB,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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2 12 1 14 2 28 1 0 0 0 0 0 0 1.700800 1.097800 9.382400 1XA 0 -0.15000 -0.15000 DACL C11 13
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41 14 1 0 0 0 0 0 0 0 0 0 0 3.278600 1.646600 10.741700 1XA 0 0.15000 0.15000 DACL H12 29
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35 [DACYIP,35,35,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 2 0 0 0 0 0 0 0 0 0 0 -10.898100 -2.152700 14.355000 1XA 0 -0.67730 -0.67730 UNCH S9 1
53 1 2 3 1 4 1 22 1 0 0 0 0 -9.341100 -3.344400 14.355000 1XA 0 1.00720 1.00720 UNCH P1 2
25 2 1 9 1 23 1 0 0 0 0 0 0 -7.848300 -2.592600 14.355000 1XA 0 -0.80790 -0.80790 UNCH N7 3
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32 [DADDAN,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 13 1 14 1 0 0 0 0 0 0 0 0 -6.834000 -3.207900 13.540700 1XA 0 -0.43000 -0.43000 UNCH O10 1
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16 11 1 17 1 0 0 0 0 0 0 0 0 -8.781800 -4.720900 14.802300 1XA 0 -0.43000 -0.43000 UNCH O15 4
26 8 1 9 1 12 1 0 0 0 0 0 0 -10.995700 -2.383800 14.834900 1XA 0 -0.81000 -0.81000 UNCH N4 5
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3 1 1 6 1 27 1 28 1 0 0 0 0 -7.576800 -2.048900 13.151500 1XA 0 0.41820 0.41820 UNCH C9 13
2 1 1 2 2 15 1 0 0 0 0 0 0 -6.764800 -4.210300 12.622200 1XA 0 0.65900 0.65900 UNCH C11 14
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41 7 1 0 0 0 0 0 0 0 0 0 0 -9.997600 -1.993700 11.608600 1XA 0 0.15000 0.15000 UNCH H2 18
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41 13 1 0 0 0 0 0 0 0 0 0 0 -7.157000 -1.198700 13.700300 1XA 0 0.00000 0.00000 UNCH H92 28
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19 [DADLAV,19,19,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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15 9 2 0 0 0 0 0 0 0 0 0 0 -8.347600 -5.588300 11.904000 1XA 0 -0.57000 -0.57000 DADG O2 2
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25 6 1 13 1 14 1 0 0 0 0 0 0 -10.994200 -4.971900 13.332800 1XA 0 -0.90000 -0.90000 DADG N2 4
2 1 2 3 1 6 1 0 0 0 0 0 0 -10.190700 -4.786100 15.715700 1XA 0 0.61560 0.61560 DADG C1 5
2 4 1 5 1 7 2 0 0 0 0 0 0 -9.960300 -4.838000 14.229200 1XA 0 0.11440 0.11440 DADG C2 6
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43 3 1 0 0 0 0 0 0 0 0 0 0 -8.827000 -4.596200 17.294201 1XA 0 0.37000 0.37000 DADG H1 12
43 4 1 0 0 0 0 0 0 0 0 0 0 -10.697500 -5.442400 12.475500 1XA 0 0.40000 0.40000 DADG H2 13
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41 11 1 0 0 0 0 0 0 0 0 0 0 -6.334300 -4.479300 16.695000 1XA 0 0.15000 0.15000 DADG H4 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -5.888700 -4.577400 14.909000 1XA 0 0.15000 0.15000 DADG H5 16
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19 [DADLEZ,19,19,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 5 1 2 1 0 0 0 0 0 0 0 0 -8.826800 -2.877100 13.215800 1XA 0 -0.22670 -0.22670 DADL O1 1
2 1 1 6 2 3 1 0 0 0 0 0 0 -8.131200 -2.580800 14.350500 1XA 0 0.58560 0.58560 DADL C1 2
2 2 1 7 1 4 2 0 0 0 0 0 0 -8.218800 -3.659200 15.357100 1XA 0 0.11440 0.11440 DADL C2 3
2 3 2 8 1 5 1 0 0 0 0 0 0 -9.023400 -4.551900 14.790700 1XA 0 0.01440 0.01440 DADL C3 4
2 1 1 4 1 10 2 0 0 0 0 0 0 -9.422300 -4.103900 13.496100 1XA 0 0.07670 0.07670 DADL C4 5
25 2 2 19 1 0 0 0 0 0 0 0 0 -7.501600 -1.465600 14.472600 1XA 0 -0.85000 -0.85000 DADL N1 6
25 3 1 16 1 15 1 0 0 0 0 0 0 -7.570600 -3.589600 16.564899 1XA 0 -0.90000 -0.90000 DADL N2 7
2 4 1 11 1 9 2 0 0 0 0 0 0 -9.379300 -5.811700 15.472500 1XA 0 0.49460 0.49460 DADL C5 8
15 8 2 0 0 0 0 0 0 0 0 0 0 -9.755900 -5.798400 16.645300 1XA 0 -0.57000 -0.57000 DADL O2 9
2 5 2 18 1 17 1 0 0 0 0 0 0 -10.265800 -4.669300 12.628100 1XA 0 -0.30000 -0.30000 DADL C6 10
3 8 1 14 1 13 1 12 1 0 0 0 0 -9.249600 -7.103700 14.710400 1XA 0 0.06100 0.06100 DADL C7 11
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.627000 -6.979100 13.820400 1XA 0 0.00000 0.00000 DADL H1 12
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.765900 -7.846800 15.351100 1XA 0 0.00000 0.00000 DADL H2 13
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.241400 -7.457500 14.418900 1XA 0 0.00000 0.00000 DADL H3 14
43 7 1 0 0 0 0 0 0 0 0 0 0 -8.073100 -4.086700 17.301901 1XA 0 0.40000 0.40000 DADL H4 15
43 7 1 0 0 0 0 0 0 0 0 0 0 -7.356900 -2.620800 16.810101 1XA 0 0.40000 0.40000 DADL H5 16
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.778100 -5.603700 12.824500 1XA 0 0.15000 0.15000 DADL H6 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.480300 -4.183000 11.680500 1XA 0 0.15000 0.15000 DADL H7 18
43 6 1 0 0 0 0 0 0 0 0 0 0 -7.639500 -0.943700 13.600200 1XA 0 0.40000 0.40000 DADL H8 19
22 [DAFKIE,22,22,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 6 1 9 1 0 0 0 0 0 0 -9.345200 -4.001300 14.313600 1XA 0 0.17900 0.17900 UNCH C1 1
2 1 2 3 1 12 1 0 0 0 0 0 0 -8.275400 -3.137500 14.565400 1XA 0 -0.15000 -0.15000 UNCH C2 2
2 2 1 4 2 13 1 0 0 0 0 0 0 -7.327100 -2.870700 13.573700 1XA 0 -0.15000 -0.15000 UNCH C3 3
2 3 2 5 1 7 1 0 0 0 0 0 0 -7.447000 -3.451200 12.305300 1XA 0 -0.14350 -0.14350 UNCH C4 4
2 4 1 6 2 14 1 0 0 0 0 0 0 -8.516100 -4.318600 12.051800 1XA 0 -0.15000 -0.15000 UNCH C5 5
2 1 1 5 2 15 1 0 0 0 0 0 0 -9.462000 -4.582700 13.046200 1XA 0 -0.15000 -0.15000 UNCH C6 6
3 4 1 16 1 17 1 18 1 0 0 0 0 -6.411800 -3.193100 11.250700 1XA 0 0.14350 0.14350 UNCH C7 7
3 11 1 19 1 20 1 21 1 0 0 0 0 -11.679600 -4.623000 17.565701 1XA 0 0.30010 0.30010 UNCH C8 8
25 1 1 10 2 0 0 0 0 0 0 0 0 -10.306800 -4.236600 15.310800 1XA 0 -0.17900 -0.17900 UNCH N1 9
25 9 2 11 1 0 0 0 0 0 0 0 0 -10.136300 -5.366100 15.810800 1XA 0 -0.06200 -0.06200 UNCH N2 10
26 8 1 10 1 22 1 0 0 0 0 0 0 -11.051200 -5.661600 16.779600 1XA 0 -0.60810 -0.60810 UNCH N3 11
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.179500 -2.675700 15.544300 1XA 0 0.15000 0.15000 UNCH H2 12
41 3 1 0 0 0 0 0 0 0 0 0 0 -6.496700 -2.205300 13.798400 1XA 0 0.15000 0.15000 UNCH H3 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.622300 -4.793000 11.078900 1XA 0 0.15000 0.15000 UNCH H5 14
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.295100 -5.249300 12.838900 1XA 0 0.15000 0.15000 UNCH H6 15
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41 7 1 0 0 0 0 0 0 0 0 0 0 -6.851800 -3.249000 10.249500 1XA 0 0.00000 0.00000 UNCH H73 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -12.342000 -5.103900 18.290100 1XA 0 0.00000 0.00000 UNCH H81 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.911500 -4.057200 18.099199 1XA 0 0.00000 0.00000 UNCH H82 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -12.273100 -3.968600 16.922300 1XA 0 0.00000 0.00000 UNCH H83 21
43 11 1 0 0 0 0 0 0 0 0 0 0 -10.785700 -6.506200 17.275900 1XA 0 0.37000 0.37000 UNCH H31 22
11 [DAFPUV,11,11,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 4 1 5 1 0 0 0 0 0 0 0 0 -8.062400 -5.777500 12.429000 1XA 0 0.24180 0.24180 DAFN O1 1
18 6 1 0 0 0 0 0 0 0 0 0 0 -9.679300 -2.805700 15.259200 1XA 0 -0.52000 -0.52000 DAFN O2 2
15 6 2 0 0 0 0 0 0 0 0 0 0 -9.981200 -2.310400 13.137100 1XA 0 -0.52000 -0.52000 DAFN O3 3
25 1 1 8 2 0 0 0 0 0 0 0 0 -8.812900 -4.601800 12.412100 1XA 0 -0.40970 -0.40970 DAFN N1 4
25 1 1 9 2 0 0 0 0 0 0 0 0 -7.645000 -6.095300 13.718700 1XA 0 -0.40970 -0.40970 DAFN N2 5
31 2 1 3 2 8 1 0 0 0 0 0 0 -9.544600 -3.031400 14.045500 1XA 0 0.96100 0.96100 DAFN N3 6
25 9 1 10 1 11 1 0 0 0 0 0 0 -7.921300 -5.066300 15.833600 1XA 0 -0.88300 -0.88300 DAFN N4 7
2 4 2 6 1 9 1 0 0 0 0 0 0 -8.832400 -4.219300 13.692700 1XA 0 0.36780 0.36780 DAFN C1 8
2 5 2 7 1 8 1 0 0 0 0 0 0 -8.120500 -5.124600 14.499800 1XA 0 0.37180 0.37180 DAFN C2 9
43 7 1 0 0 0 0 0 0 0 0 0 0 -7.554500 -5.884400 16.311600 1XA 0 0.40000 0.40000 DAFN H1 10
43 7 1 0 0 0 0 0 0 0 0 0 0 -8.466700 -4.444800 16.429600 1XA 0 0.40000 0.40000 DAFN H2 11
26 [DAGTUA,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 6 2 7 2 10 1 11 1 0 0 0 0 -10.592600 -4.393400 15.842800 1XA 0 1.33280 1.33280 UNCH S1 1
49 4 2 8 2 9 1 12 1 0 0 0 0 -7.740500 -6.190400 14.421700 1XA 0 1.33280 1.33280 UNCH S2 2
16 9 1 13 1 0 0 0 0 0 0 0 0 -7.415200 -3.704700 13.878100 1XA 0 -0.19700 -0.19700 UNCH O1 3
15 2 2 0 0 0 0 0 0 0 0 0 0 -6.361200 -6.308300 14.858200 1XA 0 -0.65000 -0.65000 UNCH O2 4
16 10 1 14 1 0 0 0 0 0 0 0 0 -9.860400 -3.111700 13.744900 1XA 0 -0.19700 -0.19700 UNCH O3 5
15 1 2 0 0 0 0 0 0 0 0 0 0 -11.985100 -4.322400 15.439100 1XA 0 -0.65000 -0.65000 UNCH O4 6
15 1 2 0 0 0 0 0 0 0 0 0 0 -10.134600 -5.419100 16.756599 1XA 0 -0.65000 -0.65000 UNCH O5 7
15 2 2 0 0 0 0 0 0 0 0 0 0 -8.748200 -7.123300 14.881100 1XA 0 -0.65000 -0.65000 UNCH O6 8
25 2 1 3 1 10 1 0 0 0 0 0 0 -8.259900 -4.543100 14.701100 1XA 0 -0.22100 -0.22100 UNCH N1 9
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3 1 1 15 1 16 1 17 1 0 0 0 0 -10.171400 -2.826800 16.584999 1XA 0 0.10520 0.10520 UNCH C1 11
3 2 1 18 1 19 1 20 1 0 0 0 0 -7.745400 -6.273900 12.639700 1XA 0 0.10520 0.10520 UNCH C2 12
3 3 1 21 1 22 1 23 1 0 0 0 0 -6.528600 -2.993900 14.737300 1XA 0 0.28000 0.28000 UNCH C3 13
3 5 1 24 1 25 1 26 1 0 0 0 0 -10.619300 -3.367500 12.566800 1XA 0 0.28000 0.28000 UNCH C4 14
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.101300 -2.802100 16.794100 1XA 0 0.00000 0.00000 UNCH H1 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.468800 -2.010600 15.925600 1XA 0 0.00000 0.00000 UNCH H2 16
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41 12 1 0 0 0 0 0 0 0 0 0 0 -7.455100 -7.289200 12.358000 1XA 0 0.00000 0.00000 UNCH H5 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.020800 -5.568100 12.232000 1XA 0 0.00000 0.00000 UNCH H6 20
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41 13 1 0 0 0 0 0 0 0 0 0 0 -7.093300 -2.316400 15.384400 1XA 0 0.00000 0.00000 UNCH H8 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.929900 -3.681000 15.342000 1XA 0 0.00000 0.00000 UNCH H9 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.857400 -2.408300 12.099500 1XA 0 0.00000 0.00000 UNCH H10 24
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23 [DAHBAP,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 4 1 17 1 0 0 0 0 0 0 0 0 -8.586200 -5.517100 15.933600 1XA 0 -0.43550 -0.43550 UNCH O1 1
15 10 2 0 0 0 0 0 0 0 0 0 0 -6.029600 -6.035100 15.190900 1XA 0 -0.57000 -0.57000 UNCH O2 2
15 11 2 0 0 0 0 0 0 0 0 0 0 -10.150900 -2.235000 15.469400 1XA 0 -0.57000 -0.57000 UNCH O3 3
25 1 1 6 1 10 1 0 0 0 0 0 0 -7.913800 -4.738500 14.967500 1XA 0 -0.13350 -0.13350 UNCH N1 4
25 11 1 12 1 13 1 0 0 0 0 0 0 -10.989700 -4.122400 14.439100 1XA 0 -0.66020 -0.66020 UNCH N2 5
2 4 1 7 2 11 1 0 0 0 0 0 0 -8.566100 -3.640300 14.463100 1XA 0 0.12340 0.12340 UNCH C6 6
2 6 2 8 1 14 1 0 0 0 0 0 0 -7.924500 -2.823700 13.609400 1XA 0 -0.15000 -0.15000 UNCH C5 7
2 7 1 9 2 15 1 0 0 0 0 0 0 -6.563300 -3.119400 13.216100 1XA 0 -0.15000 -0.15000 UNCH C4 8
2 8 2 10 1 16 1 0 0 0 0 0 0 -5.917600 -4.184700 13.714500 1XA 0 -0.13560 -0.13560 UNCH C3 9
2 2 2 4 1 9 1 0 0 0 0 0 0 -6.608300 -5.076200 14.686400 1XA 0 0.61560 0.61560 UNCH C2 10
2 3 2 5 1 6 1 0 0 0 0 0 0 -9.960700 -3.283800 14.851400 1XA 0 0.61560 0.61560 UNCH C7 11
3 5 1 18 1 19 1 20 1 0 0 0 0 -12.327000 -3.880000 14.952000 1XA 0 0.30010 0.30010 UNCH C8 12
3 5 1 21 1 22 1 23 1 0 0 0 0 -10.806900 -5.361400 13.696800 1XA 0 0.30010 0.30010 UNCH C9 13
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.400300 -1.932500 13.210100 1XA 0 0.15000 0.15000 UNCH H3 14
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.076700 -2.449500 12.513600 1XA 0 0.15000 0.15000 UNCH H4 15
41 9 1 0 0 0 0 0 0 0 0 0 0 -4.897600 -4.435500 13.454700 1XA 0 0.15000 0.15000 UNCH H5 16
42 1 1 0 0 0 0 0 0 0 0 0 0 -7.865100 -6.100000 16.251801 1XA 0 0.40000 0.40000 UNCH H1 17
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41 12 1 0 0 0 0 0 0 0 0 0 0 -12.409500 -2.914300 15.457200 1XA 0 0.00000 0.00000 UNCH H82 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -13.036600 -3.901800 14.119600 1XA 0 0.00000 0.00000 UNCH H83 20
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41 13 1 0 0 0 0 0 0 0 0 0 0 -10.827000 -6.198500 14.400400 1XA 0 0.00000 0.00000 UNCH H92 22
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26 [DAHNAB,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
60 2 1 3 1 4 1 5 1 0 0 0 0 -8.280900 -2.471600 15.757600 1XA 0 0.61160 0.61160 UNCH SI1 1
57 1 1 0 0 0 0 0 0 0 0 0 0 -10.080100 -1.475200 15.819100 1XA 0 -0.37010 -0.37010 UNCH CL1 2
3 1 1 6 1 7 1 8 1 0 0 0 0 -6.937000 -1.215800 15.484800 1XA 0 -0.08050 -0.08050 UNCH C1 3
3 1 1 9 1 10 1 14 1 0 0 0 0 -8.345000 -3.688000 14.308200 1XA 0 -0.08050 -0.08050 UNCH C2 4
3 1 1 11 1 12 1 13 1 0 0 0 0 -8.051700 -3.363700 17.370501 1XA 0 -0.08050 -0.08050 UNCH C3 5
41 3 1 0 0 0 0 0 0 0 0 0 0 -6.911100 -0.483600 16.297701 1XA 0 0.00000 0.00000 UNCH H11 6
41 3 1 0 0 0 0 0 0 0 0 0 0 -7.089600 -0.673100 14.546800 1XA 0 0.00000 0.00000 UNCH H12 7
41 3 1 0 0 0 0 0 0 0 0 0 0 -5.956200 -1.698900 15.437000 1XA 0 0.00000 0.00000 UNCH H13 8
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.353800 -4.151200 14.229900 1XA 0 0.00000 0.00000 UNCH H21 9
41 4 1 0 0 0 0 0 0 0 0 0 0 -8.487600 -3.102400 13.391500 1XA 0 0.00000 0.00000 UNCH H22 10
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.874300 -4.059900 17.559900 1XA 0 0.00000 0.00000 UNCH H31 11
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.120200 -3.938000 17.369600 1XA 0 0.00000 0.00000 UNCH H32 12
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.009800 -2.659300 18.207001 1XA 0 0.00000 0.00000 UNCH H33 13
3 4 1 15 1 16 1 17 1 0 0 0 0 -9.423000 -4.779300 14.401800 1XA 0 -0.08050 -0.08050 UNCH C2A 14
60 14 1 18 1 19 1 20 1 0 0 0 0 -9.487200 -5.995700 12.952400 1XA 0 0.61160 0.61160 UNCH SI1A 15
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.414200 -4.316100 14.480100 1XA 0 0.00000 0.00000 UNCH H21A 16
41 14 1 0 0 0 0 0 0 0 0 0 0 -9.280500 -5.364900 15.318400 1XA 0 0.00000 0.00000 UNCH H22A 17
57 15 1 0 0 0 0 0 0 0 0 0 0 -7.687900 -6.992100 12.890800 1XA 0 -0.37010 -0.37010 UNCH CL1A 18
3 15 1 21 1 22 1 23 1 0 0 0 0 -10.831100 -7.251600 13.225200 1XA 0 -0.08050 -0.08050 UNCH C1A 19
3 15 1 24 1 25 1 26 1 0 0 0 0 -9.716400 -5.103600 11.339500 1XA 0 -0.08050 -0.08050 UNCH C3A 20
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41 19 1 0 0 0 0 0 0 0 0 0 0 -10.678500 -7.794200 14.163200 1XA 0 0.00000 0.00000 UNCH H12A 22
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41 20 1 0 0 0 0 0 0 0 0 0 0 -10.647800 -4.529300 11.340400 1XA 0 0.00000 0.00000 UNCH H32A 25
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31 [DAJXER,31,31,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 1 8 1 15 1 0 0 0 0 0 0 -9.251800 -4.191100 15.558700 1XA 0 -0.58510 -0.58510 UNCH N1 1
2 1 1 3 2 4 1 0 0 0 0 0 0 -10.123000 -3.148300 15.795300 1XA 0 0.69000 0.69000 UNCH C2 2
15 2 2 0 0 0 0 0 0 0 0 0 0 -10.974500 -3.170400 16.682899 1XA 0 -0.57000 -0.57000 UNCH O1 3
25 2 1 5 1 18 1 0 0 0 0 0 0 -10.018100 -2.050600 14.991900 1XA 0 -0.49000 -0.49000 UNCH N3 4
2 4 1 6 2 7 1 0 0 0 0 0 0 -9.349500 -1.914100 13.798000 1XA 0 0.57700 0.57700 UNCH C4 5
15 5 2 0 0 0 0 0 0 0 0 0 0 -9.503200 -0.875500 13.146400 1XA 0 -0.57000 -0.57000 UNCH O2 6
3 5 1 8 1 9 1 13 1 0 0 0 0 -8.411100 -3.080100 13.401900 1XA 0 0.05300 0.05300 UNCH C5 7
3 1 1 7 1 14 1 19 1 0 0 0 0 -8.280600 -4.226800 14.436100 1XA 0 0.22500 0.22500 UNCH C6 8
3 7 1 23 1 24 1 25 1 0 0 0 0 -7.026700 -2.551400 12.990500 1XA 0 0.00000 0.00000 UNCH C7 9
25 11 1 14 1 17 1 0 0 0 0 0 0 -9.787600 -6.013600 13.439600 1XA 0 -0.66410 -0.66410 UNCH N11 10
2 10 1 12 2 20 1 0 0 0 0 0 0 -10.763000 -5.250900 12.870200 1XA 0 0.44000 0.44000 UNCH C21 11
25 11 2 13 1 0 0 0 0 0 0 0 0 -10.421000 -4.158600 12.262300 1XA 0 -0.73700 -0.73700 UNCH N31 12
3 7 1 12 1 14 1 21 1 0 0 0 0 -8.948300 -4.096800 12.363200 1XA 0 0.28700 0.28700 UNCH C41 13
3 8 1 10 1 13 1 22 1 0 0 0 0 -8.565900 -5.264900 13.316700 1XA 0 0.24500 0.24500 UNCH C51 14
3 1 1 16 1 26 1 27 1 0 0 0 0 -9.378100 -5.401500 16.366899 1XA 0 0.30010 0.30010 UNCH C8 15
3 15 1 17 1 28 1 29 1 0 0 0 0 -10.423000 -6.361300 15.802900 1XA 0 0.00000 0.00000 UNCH C9 16
3 10 1 16 1 30 1 31 1 0 0 0 0 -9.992600 -6.993400 14.481700 1XA 0 0.36910 0.36910 UNCH C10 17
43 4 1 0 0 0 0 0 0 0 0 0 0 -10.686800 -1.320000 15.184400 1XA 0 0.37000 0.37000 UNCH H3 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.267800 -4.329400 14.848900 1XA 0 0.00000 0.00000 UNCH H6 19
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.801300 -5.599800 12.989200 1XA 0 0.06000 0.06000 UNCH H21 20
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.460400 -4.107300 11.383500 1XA 0 0.00000 0.00000 UNCH H41 21
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.711400 -5.870400 13.001400 1XA 0 0.00000 0.00000 UNCH H51 22
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.341800 -3.364900 12.725700 1XA 0 0.00000 0.00000 UNCH H71 23
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.105800 -1.889300 12.121200 1XA 0 0.00000 0.00000 UNCH H72 24
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.570800 -1.983500 13.809000 1XA 0 0.00000 0.00000 UNCH H73 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.396400 -5.885000 16.431700 1XA 0 0.00000 0.00000 UNCH H81 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -9.662300 -5.118300 17.387100 1XA 0 0.00000 0.00000 UNCH H82 27
41 16 1 0 0 0 0 0 0 0 0 0 0 -11.382000 -5.844500 15.676500 1XA 0 0.00000 0.00000 UNCH H91 28
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.588100 -7.164700 16.530600 1XA 0 0.00000 0.00000 UNCH H92 29
41 17 1 0 0 0 0 0 0 0 0 0 0 -9.074100 -7.574900 14.626400 1XA 0 0.00000 0.00000 UNCH H101 30
41 17 1 0 0 0 0 0 0 0 0 0 0 -10.761600 -7.705000 14.158600 1XA 0 0.00000 0.00000 UNCH H102 31
34 [DAKBAS,34,34,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
51 8 1 0 0 0 0 0 0 0 0 0 0 -10.196000 -5.894100 17.948299 1XA 0 -0.95000 -0.95000 DAKB S1 1
15 21 2 0 0 0 0 0 0 0 0 0 0 -6.162300 -5.556000 12.407500 1XA 0 -0.57000 -0.57000 DAKB O1 2
18 7 1 0 0 0 0 0 0 0 0 0 0 -9.619600 -5.930900 10.894100 1XA 0 -0.52000 -0.52000 DAKB O2 3
15 7 2 0 0 0 0 0 0 0 0 0 0 -11.422600 -4.731100 10.530000 1XA 0 -0.52000 -0.52000 DAKB O3 4
25 23 1 9 1 8 1 0 0 0 0 0 0 -8.064000 -6.017600 16.363701 1XA 0 -0.60000 -0.60000 DAKB N1 5
24 13 3 0 0 0 0 0 0 0 0 0 0 -12.581900 -5.290700 14.764900 1XA 0 -0.55710 -0.55710 DAKB N2 6
31 3 1 4 2 20 1 0 0 0 0 0 0 -10.330400 -4.933600 11.078900 1XA 0 0.90700 0.90700 DAKB N3 7
2 1 1 5 1 12 2 0 0 0 0 0 0 -9.437500 -5.823000 16.370001 1XA 0 0.05000 0.05000 DAKB C1 8
2 5 1 14 1 10 2 0 0 0 0 0 0 -7.265500 -6.230400 15.262300 1XA 0 -0.03820 -0.03820 DAKB C2 9
2 9 2 21 1 11 1 0 0 0 0 0 0 -7.797600 -6.044500 14.038700 1XA 0 -0.12380 -0.12380 DAKB C3 10
3 10 1 24 1 15 1 12 1 0 0 0 0 -9.234600 -5.576200 13.866400 1XA 0 0.41990 0.41990 DAKB C4 11
2 8 2 11 1 13 1 0 0 0 0 0 0 -10.046600 -5.613800 15.171800 1XA 0 -0.07320 -0.07320 DAKB C5 12
1 6 3 12 1 0 0 0 0 0 0 0 0 -11.460800 -5.440600 15.035800 1XA 0 0.49210 0.49210 DAKB C6 13
3 9 1 27 1 26 1 25 1 0 0 0 0 -5.858800 -6.679800 15.544300 1XA 0 0.13820 0.13820 DAKB C7 14
2 11 1 20 1 16 2 0 0 0 0 0 0 -9.282400 -4.176800 13.231300 1XA 0 -0.14350 -0.14350 DAKB C8 15
2 15 2 28 1 17 1 0 0 0 0 0 0 -8.786000 -3.083200 13.975600 1XA 0 -0.15000 -0.15000 DAKB C9 16
2 16 1 29 1 18 2 0 0 0 0 0 0 -8.830500 -1.777100 13.479500 1XA 0 -0.15000 -0.15000 DAKB C10 17
2 17 2 30 1 19 1 0 0 0 0 0 0 -9.372600 -1.521700 12.224200 1XA 0 -0.15000 -0.15000 DAKB C11 18
2 18 1 31 1 20 2 0 0 0 0 0 0 -9.867000 -2.575300 11.459600 1XA 0 -0.15000 -0.15000 DAKB C12 19
2 7 1 15 1 19 2 0 0 0 0 0 0 -9.816900 -3.889900 11.959400 1XA 0 0.13300 0.13300 DAKB C13 20
2 2 2 10 1 22 1 0 0 0 0 0 0 -7.010000 -6.345300 12.820500 1XA 0 0.49460 0.49460 DAKB C14 21
3 21 1 34 1 33 1 32 1 0 0 0 0 -7.256400 -7.670200 12.149300 1XA 0 0.06100 0.06100 DAKB C15 22
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.731600 -6.263400 17.293200 1XA 0 0.40000 0.40000 DAKB H1 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.724800 -6.311200 13.218900 1XA 0 0.00000 0.00000 DAKB H4 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.869900 -7.607700 16.126400 1XA 0 0.00000 0.00000 DAKB H17 25
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.272300 -6.869000 14.641500 1XA 0 0.00000 0.00000 DAKB H27 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.331000 -5.916500 16.126101 1XA 0 0.00000 0.00000 DAKB H37 27
41 16 1 0 0 0 0 0 0 0 0 0 0 -8.367400 -3.245500 14.971200 1XA 0 0.15000 0.15000 DAKB H9 28
41 17 1 0 0 0 0 0 0 0 0 0 0 -8.446100 -0.961000 14.087000 1XA 0 0.15000 0.15000 DAKB H10 29
41 18 1 0 0 0 0 0 0 0 0 0 0 -9.411200 -0.504000 11.845300 1XA 0 0.15000 0.15000 DAKB H11 30
41 19 1 0 0 0 0 0 0 0 0 0 0 -10.288400 -2.368200 10.478100 1XA 0 0.15000 0.15000 DAKB H12 31
41 22 1 0 0 0 0 0 0 0 0 0 0 -7.330600 -7.521100 11.069100 1XA 0 0.00000 0.00000 DAKB H115 32
41 22 1 0 0 0 0 0 0 0 0 0 0 -8.186800 -8.125200 12.499600 1XA 0 0.00000 0.00000 DAKB H215 33
41 22 1 0 0 0 0 0 0 0 0 0 0 -6.426000 -8.344700 12.373900 1XA 0 0.00000 0.00000 DAKB H315 34
20 [DAKCEX,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 9 2 2 1 0 0 0 0 0 0 0 0 -9.381100 -7.312000 15.445100 1XA 0 -0.33810 -0.33810 DAKC N1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -10.304900 -7.472400 16.446899 1XA 0 0.00000 0.00000 DAKC N2 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -10.848200 -6.315100 16.784901 1XA 0 -0.41800 -0.41800 DAKC N3 3
25 3 1 9 1 5 1 0 0 0 0 0 0 -10.268300 -5.408900 15.994300 1XA 0 0.77160 0.77160 DAKC N4 4
25 4 1 6 2 0 0 0 0 0 0 0 0 -10.575000 -4.091000 16.051701 1XA 0 -0.65200 -0.65200 DAKC N5 5
2 5 2 14 1 7 1 0 0 0 0 0 0 -9.911400 -3.356100 15.207700 1XA 0 0.57480 0.57480 DAKC C6 6
2 6 1 10 2 8 1 0 0 0 0 0 0 -8.884600 -3.881900 14.235500 1XA 0 0.08620 0.08620 DAKC C7 7
2 7 1 13 2 9 1 0 0 0 0 0 0 -8.608800 -5.259300 14.222500 1XA 0 0.00000 0.00000 DAKC C8 8
2 1 2 4 1 8 1 0 0 0 0 0 0 -9.341800 -6.018400 15.144200 1XA 0 0.18650 0.18650 DAKC C9 9
2 7 2 20 1 11 1 0 0 0 0 0 0 -8.199300 -3.045800 13.348400 1XA 0 -0.15000 -0.15000 DAKC C10 10
2 10 1 19 1 12 2 0 0 0 0 0 0 -7.256100 -3.587500 12.467100 1XA 0 -0.15000 -0.15000 DAKC C11 11
2 11 2 18 1 13 1 0 0 0 0 0 0 -6.989900 -4.960600 12.463300 1XA 0 -0.15000 -0.15000 DAKC C12 12
2 8 2 12 1 17 1 0 0 0 0 0 0 -7.663500 -5.808300 13.340500 1XA 0 -0.15000 -0.15000 DAKC C13 13
25 6 1 15 2 0 0 0 0 0 0 0 0 -10.120400 -2.000300 15.155000 1XA 0 -0.52890 -0.52890 DAKC N14 14
204 14 2 16 2 0 0 0 0 0 0 0 0 -10.967800 -1.569600 15.957800 1XA 0 0.68790 0.68790 DAKC N15 15
201 15 2 0 0 0 0 0 0 0 0 0 0 -11.736800 -1.131900 16.677200 1XA 0 -0.37000 -0.37000 DAKC N16 16
41 13 1 0 0 0 0 0 0 0 0 0 0 -7.456900 -6.876700 13.338100 1XA 0 0.15000 0.15000 DAKC H1 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.254100 -5.368100 11.772800 1XA 0 0.15000 0.15000 DAKC H2 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -6.724000 -2.934400 11.777600 1XA 0 0.15000 0.15000 DAKC H3 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.384500 -1.974300 13.327700 1XA 0 0.15000 0.15000 DAKC H4 20
36 [DAKDOI,36,36,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 1 18 1 22 2 0 0 0 0 0 0 1.575500 -3.362600 7.883300 1XA 0 0.54380 0.54380 UNCH C1 1
2 1 1 3 2 7 1 0 0 0 0 0 0 1.493500 -2.094300 7.114100 1XA 0 0.08620 0.08620 UNCH C2 2
2 2 2 4 1 26 1 0 0 0 0 0 0 1.570700 -0.870200 7.789500 1XA 0 -0.15000 -0.15000 UNCH C3 3
2 3 1 5 2 27 1 0 0 0 0 0 0 1.491400 0.326400 7.074600 1XA 0 -0.15000 -0.15000 UNCH C4 4
2 4 2 6 1 17 1 0 0 0 0 0 0 1.330900 0.296100 5.690300 1XA 0 0.17700 0.17700 UNCH C5 5
2 5 1 7 2 28 1 0 0 0 0 0 0 1.246000 -0.920200 5.010200 1XA 0 -0.15000 -0.15000 UNCH C6 6
2 2 1 6 2 8 1 0 0 0 0 0 0 1.328200 -2.130000 5.719000 1XA 0 -0.14350 -0.14350 UNCH C7 7
3 7 1 9 1 19 1 29 1 0 0 0 0 1.208400 -3.464600 5.002100 1XA 0 0.51260 0.51260 UNCH C8 8
3 8 1 10 1 30 1 31 1 0 0 0 0 -0.263100 -3.865000 4.869900 1XA 0 0.06100 0.06100 UNCH C9 9
2 9 1 23 2 24 1 0 0 0 0 0 0 -0.415200 -5.094300 4.030400 1XA 0 0.65900 0.65900 UNCH C10 10
2 12 1 16 2 19 1 0 0 0 0 0 0 3.304300 -4.745500 5.408200 1XA 0 0.10000 0.10000 UNCH C11 11
2 11 1 13 2 32 1 0 0 0 0 0 0 3.643200 -4.987700 4.065500 1XA 0 -0.15000 -0.15000 UNCH C12 12
2 12 2 14 1 33 1 0 0 0 0 0 0 4.955100 -5.259200 3.648600 1XA 0 -0.15000 -0.15000 UNCH C13 13
2 13 1 15 2 25 1 0 0 0 0 0 0 5.949800 -5.300200 4.628300 1XA 0 0.04000 0.04000 UNCH C14 14
2 14 2 16 1 20 1 0 0 0 0 0 0 5.673000 -5.089900 5.979100 1XA 0 0.22720 0.22720 UNCH C15 15
2 11 2 15 1 34 1 0 0 0 0 0 0 4.339600 -4.821500 6.361600 1XA 0 -0.15000 -0.15000 UNCH C16 16
57 5 1 0 0 0 0 0 0 0 0 0 0 1.229400 1.770300 4.809700 1XA 0 -0.17700 -0.17700 UNCH CL1 17
25 1 1 19 1 35 1 0 0 0 0 0 0 1.683100 -4.523600 7.146300 1XA 0 -0.41000 -0.41000 UNCH N1 18
25 8 1 11 1 18 1 0 0 0 0 0 0 1.956000 -4.495400 5.766300 1XA 0 -0.48910 -0.48910 UNCH N2 19
25 15 1 21 2 0 0 0 0 0 0 0 0 6.776000 -5.171400 6.822500 1XA 0 -0.22720 -0.22720 UNCH N3 20
25 20 2 25 1 0 0 0 0 0 0 0 0 7.887800 -5.436600 6.158700 1XA 0 -0.22070 -0.22070 UNCH N4 21
15 1 2 0 0 0 0 0 0 0 0 0 0 1.538300 -3.370400 9.107900 1XA 0 -0.57000 -0.57000 UNCH O1 22
15 10 2 0 0 0 0 0 0 0 0 0 0 -1.011300 -6.111300 4.341800 1XA 0 -0.57000 -0.57000 UNCH O2 23
16 10 1 36 1 0 0 0 0 0 0 0 0 0.110000 -4.968100 2.796100 1XA 0 -0.65000 -0.65000 UNCH O3 24
49 14 1 21 1 0 0 0 0 0 0 0 0 7.642100 -5.597300 4.514200 1XA 0 0.18070 0.18070 UNCH S1 25
41 3 1 0 0 0 0 0 0 0 0 0 0 1.694900 -0.847300 8.870800 1XA 0 0.15000 0.15000 UNCH H3 26
41 4 1 0 0 0 0 0 0 0 0 0 0 1.555000 1.274300 7.603100 1XA 0 0.15000 0.15000 UNCH H4 27
41 6 1 0 0 0 0 0 0 0 0 0 0 1.116100 -0.923200 3.930000 1XA 0 0.15000 0.15000 UNCH H6 28
41 8 1 0 0 0 0 0 0 0 0 0 0 1.635000 -3.335700 4.000800 1XA 0 0.00000 0.00000 UNCH H8 29
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.856800 -3.069100 4.403900 1XA 0 0.00000 0.00000 UNCH H91 30
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.716900 -4.063500 5.848600 1XA 0 0.00000 0.00000 UNCH H92 31
41 12 1 0 0 0 0 0 0 0 0 0 0 2.868700 -4.999700 3.300500 1XA 0 0.15000 0.15000 UNCH H12 32
41 13 1 0 0 0 0 0 0 0 0 0 0 5.182700 -5.442600 2.603300 1XA 0 0.15000 0.15000 UNCH H13 33
41 16 1 0 0 0 0 0 0 0 0 0 0 4.155500 -4.657000 7.418200 1XA 0 0.15000 0.15000 UNCH H16 34
43 18 1 0 0 0 0 0 0 0 0 0 0 1.786500 -5.413000 7.626100 1XA 0 0.37000 0.37000 UNCH H10 35
42 24 1 0 0 0 0 0 0 0 0 0 0 -0.123500 -5.818500 2.362300 1XA 0 0.50000 0.50000 UNCH H30 36
17 [DANCUQ,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
60 2 1 3 1 10 1 11 1 0 0 0 0 -8.884000 -4.234800 14.354900 1XA 0 1.32000 1.32000 DAKF SI1 1
49 1 1 4 1 0 0 0 0 0 0 0 0 -10.035200 -5.573800 13.197500 1XA 0 -0.56000 -0.56000 DAKF S1 2
49 1 1 5 1 0 0 0 0 0 0 0 0 -10.044700 -2.895800 15.502900 1XA 0 -0.56000 -0.56000 DAKF S2 3
3 2 1 6 1 7 1 12 1 0 0 0 0 -9.099400 -7.089200 13.619300 1XA 0 0.23000 0.23000 DAKF C1 4
3 3 1 8 1 9 1 13 1 0 0 0 0 -9.105500 -1.380500 15.088800 1XA 0 0.23000 0.23000 DAKF C2 5
41 4 1 0 0 0 0 0 0 0 0 0 0 -8.225900 -7.160300 12.960600 1XA 0 0.00000 0.00000 DAKF H11 6
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.734000 -7.957400 13.414800 1XA 0 0.00000 0.00000 DAKF H12 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.237400 -1.309400 15.754700 1XA 0 0.00000 0.00000 DAKF H21 8
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.741800 -0.512200 15.288100 1XA 0 0.00000 0.00000 DAKF H22 9
49 1 1 12 1 0 0 0 0 0 0 0 0 -7.732700 -5.573800 15.512400 1XA 0 -0.56000 -0.56000 DAKF S1B 10
49 1 1 13 1 0 0 0 0 0 0 0 0 -7.723200 -2.895800 13.207000 1XA 0 -0.56000 -0.56000 DAKF S2B 11
3 4 1 10 1 14 1 15 1 0 0 0 0 -8.668500 -7.089200 15.090600 1XA 0 0.23000 0.23000 DAKF C1B 12
3 5 1 11 1 16 1 17 1 0 0 0 0 -8.662500 -1.380500 13.621100 1XA 0 0.23000 0.23000 DAKF C2B 13
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.542000 -7.160300 15.749300 1XA 0 0.00000 0.00000 DAKF H11B 14
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.033900 -7.957400 15.295100 1XA 0 0.00000 0.00000 DAKF H12B 15
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.530600 -1.309400 12.955200 1XA 0 0.00000 0.00000 DAKF H21B 16
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.026200 -0.512200 13.421800 1XA 0 0.00000 0.00000 DAKF H22B 17
29 [DAPSUO03,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 12 1 6 1 3 2 2 2 0 0 0 0 -6.493700 -5.895900 13.597700 1XA 0 1.31800 1.31800 DAPS S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -6.396800 -6.076500 12.160100 1XA 0 -0.65000 -0.65000 DAPS O1 2
15 1 2 0 0 0 0 0 0 0 0 0 0 -5.423100 -6.349800 14.467300 1XA 0 -0.65000 -0.65000 DAPS O2 3
25 27 1 26 1 9 1 0 0 0 0 0 0 -11.504800 -8.660900 15.298100 1XA 0 -0.90000 -0.90000 DAPS N1 4
25 29 1 28 1 15 1 0 0 0 0 0 0 -7.142200 -0.054700 14.650400 1XA 0 -0.90000 -0.90000 DAPS N2 5
2 1 1 11 2 7 1 0 0 0 0 0 0 -7.994900 -6.689700 14.124800 1XA 0 -0.00900 -0.00900 DAPS C1 6
2 6 1 18 1 8 2 0 0 0 0 0 0 -8.046900 -7.331700 15.362700 1XA 0 -0.15000 -0.15000 DAPS C2 7
2 7 2 19 1 9 1 0 0 0 0 0 0 -9.229900 -7.961300 15.759100 1XA 0 -0.15000 -0.15000 DAPS C3 8
2 4 1 8 1 10 2 0 0 0 0 0 0 -10.368000 -7.926700 14.946400 1XA 0 0.10000 0.10000 DAPS C4 9
2 9 2 20 1 11 1 0 0 0 0 0 0 -10.273800 -7.341100 13.679500 1XA 0 -0.15000 -0.15000 DAPS C5 10
2 6 2 10 1 21 1 0 0 0 0 0 0 -9.098000 -6.707500 13.269300 1XA 0 -0.15000 -0.15000 DAPS C6 11
2 1 1 17 1 13 2 0 0 0 0 0 0 -6.723700 -4.161100 13.912700 1XA 0 -0.00900 -0.00900 DAPS C7 12
2 12 2 22 1 14 1 0 0 0 0 0 0 -6.504800 -3.662800 15.198200 1XA 0 -0.15000 -0.15000 DAPS C8 13
2 13 1 23 1 15 2 0 0 0 0 0 0 -6.674900 -2.297600 15.442700 1XA 0 -0.15000 -0.15000 DAPS C9 14
2 5 1 14 2 16 1 0 0 0 0 0 0 -7.092600 -1.433800 14.424900 1XA 0 0.10000 0.10000 DAPS C10 15
2 15 1 24 1 17 2 0 0 0 0 0 0 -7.236500 -1.939500 13.128600 1XA 0 -0.15000 -0.15000 DAPS C11 16
2 12 1 16 2 25 1 0 0 0 0 0 0 -7.070200 -3.302500 12.868600 1XA 0 -0.15000 -0.15000 DAPS C12 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.177000 -7.366200 16.014500 1XA 0 0.15000 0.15000 DAPS H1 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.254500 -8.487600 16.710300 1XA 0 0.15000 0.15000 DAPS H2 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.118600 -7.380400 12.996200 1XA 0 0.15000 0.15000 DAPS H3 20
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.048000 -6.254600 12.281900 1XA 0 0.15000 0.15000 DAPS H4 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.183800 -4.317300 16.005199 1XA 0 0.15000 0.15000 DAPS H5 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -6.471100 -1.909900 16.437901 1XA 0 0.15000 0.15000 DAPS H6 23
41 16 1 0 0 0 0 0 0 0 0 0 0 -7.474700 -1.270500 12.305200 1XA 0 0.15000 0.15000 DAPS H7 24
41 17 1 0 0 0 0 0 0 0 0 0 0 -7.193900 -3.673500 11.853800 1XA 0 0.15000 0.15000 DAPS H8 25
43 4 1 0 0 0 0 0 0 0 0 0 0 -12.357700 -8.353800 14.841300 1XA 0 0.40000 0.40000 DAPS H9 26
43 4 1 0 0 0 0 0 0 0 0 0 0 -11.625800 -8.789100 16.297800 1XA 0 0.40000 0.40000 DAPS H10 27
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.723100 0.454900 13.992100 1XA 0 0.40000 0.40000 DAPS H11 28
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.330600 0.204100 15.613700 1XA 0 0.40000 0.40000 DAPS H12 29
30 [DARDEF,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 2 1 8 1 17 1 18 1 0 0 0 0 -8.109800 -4.658300 11.267200 1XA 0 0.23000 0.23000 UNCH C1 1
49 1 1 3 1 0 0 0 0 0 0 0 0 -6.718800 -5.485500 12.094900 1XA 0 -0.37100 -0.37100 UNCH S2 2
2 2 1 4 1 9 2 0 0 0 0 0 0 -7.199000 -4.902400 13.691800 1XA 0 0.64100 0.64100 UNCH C3 3
25 3 1 5 1 8 1 0 0 0 0 0 0 -8.250200 -4.031900 13.583700 1XA 0 -0.78820 -0.78820 UNCH N4 4
3 4 1 6 1 11 1 19 1 0 0 0 0 -8.445200 -2.971300 14.567500 1XA 0 0.78010 0.78010 UNCH C5 5
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39 [DARPOB10,39,39,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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60 1 1 7 1 6 1 5 1 0 0 0 0 -8.863800 -5.323400 16.819500 1XA 0 0.59050 0.59050 A1 SI1 2
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2 12 1 14 2 25 1 0 0 0 0 0 0 -9.128100 -0.944300 15.866300 1XA 0 -0.15000 -0.15000 UNCH C51 13
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24 [DARZEB,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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25 1 2 3 1 0 0 0 0 0 0 0 0 -6.486200 -4.472400 13.631000 1XA 0 -0.06200 -0.06200 UNCH N2 2
26 2 1 4 1 11 1 0 0 0 0 0 0 -7.613400 -4.150600 12.917300 1XA 0 -0.53820 -0.53820 UNCH N3 3
3 3 1 5 1 13 1 19 1 0 0 0 0 -8.854600 -4.849200 13.176200 1XA 0 0.72360 0.72360 UNCH C4 4
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3 3 1 7 1 11 1 14 1 0 0 0 0 -9.970300 -3.186300 14.382100 1XA 0 0.30120 0.30120 DASR C6 8
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21 [DAWXII,21,21,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 5 1 4 1 2 2 0 0 0 0 0 0 -8.053700 -4.575400 14.117100 1XA 0 -0.04000 -0.04000 DAWX C1 1
2 1 2 7 1 3 1 0 0 0 0 0 0 -9.197200 -4.490100 14.838000 1XA 0 -0.20500 -0.20500 DAWX C2 2
3 2 1 12 1 11 1 4 1 0 0 0 0 -9.396600 -5.971400 14.990600 1XA 0 0.73400 0.73400 DAWX C3 3
3 1 1 3 1 14 1 13 1 0 0 0 0 -8.117000 -6.138800 14.111600 1XA 0 0.73400 0.73400 DAWX C4 4
25 1 1 15 1 6 1 0 0 0 0 0 0 -7.181700 -3.750200 13.578300 1XA 0 -0.86710 -0.86710 DAWX N5 5
3 5 1 18 1 17 1 16 1 0 0 0 0 -6.128600 -4.171500 12.675400 1XA 0 0.36910 0.36910 DAWX C6 6
31 2 1 10 1 8 2 0 0 0 0 0 0 -9.898300 -3.354300 15.289600 1XA 0 0.90700 0.90700 DAWX N7 7
25 7 2 9 1 0 0 0 0 0 0 0 0 -10.913300 -3.551900 16.021299 1XA 0 -0.45300 -0.45300 DAWX N8 8
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56 3 1 0 0 0 0 0 0 0 0 0 0 -10.531900 -6.505500 14.466600 1XA 0 -0.29800 -0.29800 DAWX F11 11
56 3 1 0 0 0 0 0 0 0 0 0 0 -9.309400 -6.487300 16.245600 1XA 0 -0.29800 -0.29800 DAWX F12 12
56 4 1 0 0 0 0 0 0 0 0 0 0 -8.302400 -6.741800 12.906400 1XA 0 -0.29800 -0.29800 DAWX F13 13
56 4 1 0 0 0 0 0 0 0 0 0 0 -7.083300 -6.803100 14.694100 1XA 0 -0.29800 -0.29800 DAWX F14 14
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.356700 -2.740400 13.584900 1XA 0 0.40000 0.40000 DAWX H5 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.549800 -4.502100 11.720700 1XA 0 0.00000 0.00000 DAWX H61 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.539700 -4.986700 13.108200 1XA 0 0.00000 0.00000 DAWX H62 17
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.452500 -3.333500 12.480200 1XA 0 0.00000 0.00000 DAWX H63 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.882900 -1.669600 17.012199 1XA 0 0.00000 0.00000 DAWX H91 19
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17 [DAWYUV,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 5 1 0 0 0 0 0 0 0 0 0 0 -8.270600 -1.259500 14.647400 1XA 0 -0.14000 -0.14000 DAWX CL1 1
16 3 1 10 1 0 0 0 0 0 0 0 0 -8.059600 -5.721000 15.439100 1XA 0 -0.23250 -0.23250 DAWX O1 2
2 2 1 4 1 12 2 0 0 0 0 0 0 -7.313300 -4.853200 16.217899 1XA 0 0.70560 0.70560 DAWX C2 3
2 3 1 5 2 13 1 0 0 0 0 0 0 -7.421100 -3.422700 15.916500 1XA 0 -0.13560 -0.13560 DAWX C3 4
2 1 1 4 2 11 1 0 0 0 0 0 0 -8.201200 -2.960400 14.936200 1XA 0 0.11160 0.11160 DAWX C4 5
2 7 2 11 1 14 1 0 0 0 0 0 0 -9.832400 -3.498500 13.069100 1XA 0 -0.15000 -0.15000 DAWX C5 6
2 6 2 8 1 15 1 0 0 0 0 0 0 -10.547400 -4.455400 12.338200 1XA 0 -0.15000 -0.15000 DAWX C6 7
2 7 1 9 2 16 1 0 0 0 0 0 0 -10.427800 -5.810500 12.644500 1XA 0 -0.15000 -0.15000 DAWX C7 8
2 8 2 10 1 17 1 0 0 0 0 0 0 -9.592900 -6.212800 13.682300 1XA 0 -0.15000 -0.15000 DAWX C8 9
2 2 1 9 1 11 2 0 0 0 0 0 0 -8.887000 -5.247900 14.401500 1XA 0 0.08250 0.08250 DAWX C9 10
2 5 1 6 1 10 2 0 0 0 0 0 0 -8.986800 -3.884400 14.117700 1XA 0 0.02840 0.02840 DAWX C10 11
15 3 2 0 0 0 0 0 0 0 0 0 0 -6.588300 -5.246000 17.124399 1XA 0 -0.57000 -0.57000 DAWX O11 12
41 4 1 0 0 0 0 0 0 0 0 0 0 -6.825900 -2.768900 16.542200 1XA 0 0.15000 0.15000 DAWX H3 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -9.953900 -2.452300 12.798100 1XA 0 0.15000 0.15000 DAWX H5 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.199800 -4.139200 11.527000 1XA 0 0.15000 0.15000 DAWX H6 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.984800 -6.550000 12.074400 1XA 0 0.15000 0.15000 DAWX H7 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.492000 -7.265800 13.929700 1XA 0 0.15000 0.15000 DAWX H8 17
27 [DAYWEF,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 3 1 4 1 5 1 6 2 0 0 0 0 -7.154800 -4.062300 14.312100 1XA 0 1.51360 1.51360 UNCH P1 1
53 3 1 10 1 11 1 12 2 0 0 0 0 -9.826100 -4.185500 15.129800 1XA 0 1.51360 1.51360 UNCH P2 2
16 1 1 2 1 0 0 0 0 0 0 0 0 -8.701600 -4.281500 14.007400 1XA 0 -0.54240 -0.54240 UNCH O2 3
16 1 1 9 1 0 0 0 0 0 0 0 0 -6.725700 -5.246600 15.307800 1XA 0 -0.55120 -0.55120 UNCH O11 4
16 1 1 7 1 0 0 0 0 0 0 0 0 -6.450400 -4.495900 12.925800 1XA 0 -0.55120 -0.55120 UNCH O13 5
15 1 2 0 0 0 0 0 0 0 0 0 0 -6.795000 -2.681000 14.753600 1XA 0 -0.70000 -0.70000 UNCH O14 6
3 5 1 8 1 16 1 17 1 0 0 0 0 -6.609100 -5.836500 12.498500 1XA 0 0.28000 0.28000 UNCH C14 7
3 7 1 9 1 18 1 19 1 0 0 0 0 -6.118200 -6.798300 13.568700 1XA 0 0.00000 0.00000 UNCH C15 8
3 4 1 8 1 20 1 21 1 0 0 0 0 -6.880900 -6.581800 14.865500 1XA 0 0.28000 0.28000 UNCH C16 9
16 2 1 15 1 0 0 0 0 0 0 0 0 -11.193900 -4.247100 14.274400 1XA 0 -0.55120 -0.55120 UNCH O21 10
16 2 1 13 1 0 0 0 0 0 0 0 0 -9.806900 -2.666300 15.649500 1XA 0 -0.55120 -0.55120 UNCH O23 11
15 2 2 0 0 0 0 0 0 0 0 0 0 -9.741700 -5.235000 16.189899 1XA 0 -0.70000 -0.70000 UNCH O24 12
3 11 1 14 1 22 1 23 1 0 0 0 0 -10.059500 -1.635700 14.713300 1XA 0 0.28000 0.28000 UNCH C24 13
3 13 1 15 1 24 1 25 1 0 0 0 0 -11.405000 -1.854300 14.040700 1XA 0 0.00000 0.00000 UNCH C25 14
3 10 1 14 1 26 1 27 1 0 0 0 0 -11.436400 -3.206100 13.345700 1XA 0 0.28000 0.28000 UNCH C26 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.660900 -6.017100 12.252300 1XA 0 0.00000 0.00000 UNCH H141 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -6.026600 -5.969200 11.581600 1XA 0 0.00000 0.00000 UNCH H142 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.226600 -7.833500 13.230400 1XA 0 0.00000 0.00000 UNCH H151 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -5.054400 -6.604100 13.751900 1XA 0 0.00000 0.00000 UNCH H152 19
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.491600 -7.244100 15.644800 1XA 0 0.00000 0.00000 UNCH H161 20
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41 13 1 0 0 0 0 0 0 0 0 0 0 -10.059200 -0.682500 15.250700 1XA 0 0.00000 0.00000 UNCH H241 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.250900 -1.602500 13.976200 1XA 0 0.00000 0.00000 UNCH H242 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -11.608600 -1.052100 13.324600 1XA 0 0.00000 0.00000 UNCH H251 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -12.187100 -1.838200 14.809400 1XA 0 0.00000 0.00000 UNCH H252 25
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41 15 1 0 0 0 0 0 0 0 0 0 0 -12.421900 -3.374400 12.900600 1XA 0 0.00000 0.00000 UNCH H262 27
27 [DAZVEF,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 3 1 13 1 0 0 0 0 0 0 -8.008600 -4.683800 13.744000 1XA 0 0.57000 0.57000 UNCH C1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -7.132800 -5.236500 13.090300 1XA 0 -0.57000 -0.57000 UNCH O1 2
3 1 1 4 1 5 1 6 1 0 0 0 0 -9.441100 -4.660900 13.299100 1XA 0 0.00000 0.00000 UNCH C2 3
3 3 1 5 1 16 1 17 1 0 0 0 0 -9.710300 -4.652600 11.794800 1XA 0 -0.20000 -0.20000 UNCH C3 4
3 3 1 4 1 18 1 19 1 0 0 0 0 -9.981700 -5.897700 12.583300 1XA 0 -0.20000 -0.20000 UNCH C4 5
2 3 1 7 2 8 1 0 0 0 0 0 0 -10.400200 -3.937400 14.193800 1XA 0 0.57000 0.57000 UNCH C5 6
15 6 2 0 0 0 0 0 0 0 0 0 0 -11.333400 -3.278800 13.753600 1XA 0 -0.57000 -0.57000 UNCH O2 7
3 6 1 9 1 10 1 11 1 0 0 0 0 -10.167000 -4.108800 15.663600 1XA 0 0.00000 0.00000 UNCH C6 8
3 8 1 10 1 20 1 21 1 0 0 0 0 -11.194900 -3.523400 16.630899 1XA 0 -0.20000 -0.20000 UNCH C7 9
3 8 1 9 1 22 1 23 1 0 0 0 0 -11.155800 -5.004700 16.407900 1XA 0 -0.20000 -0.20000 UNCH C8 10
2 8 1 12 2 13 1 0 0 0 0 0 0 -8.734500 -4.131600 16.108801 1XA 0 0.57000 0.57000 UNCH C9 11
15 11 2 0 0 0 0 0 0 0 0 0 0 -8.420800 -4.256800 17.285999 1XA 0 -0.57000 -0.57000 UNCH O3 12
3 1 1 11 1 14 1 15 1 0 0 0 0 -7.711000 -3.974100 15.028000 1XA 0 0.00000 0.00000 UNCH C10 13
3 13 1 15 1 24 1 25 1 0 0 0 0 -6.249700 -3.785300 15.432500 1XA 0 -0.20000 -0.20000 UNCH C11 14
3 13 1 14 1 26 1 27 1 0 0 0 0 -7.025700 -2.612400 14.920400 1XA 0 -0.20000 -0.20000 UNCH C12 15
41 4 1 0 0 0 0 0 0 0 0 0 0 -8.863600 -4.658300 11.115800 1XA 0 0.10000 0.10000 UNCH H1 16
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.560800 -4.092600 11.419900 1XA 0 0.10000 0.10000 UNCH H2 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -11.018800 -6.177500 12.735300 1XA 0 0.10000 0.10000 UNCH H3 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.317600 -6.742800 12.431800 1XA 0 0.10000 0.10000 UNCH H4 19
41 9 1 0 0 0 0 0 0 0 0 0 0 -12.036400 -2.970200 16.226500 1XA 0 0.10000 0.10000 UNCH H5 20
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.850800 -3.146800 17.588900 1XA 0 0.10000 0.10000 UNCH H6 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.976400 -5.449200 15.854700 1XA 0 0.10000 0.10000 UNCH H7 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.787100 -5.625100 17.218500 1XA 0 0.10000 0.10000 UNCH H8 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.995700 -3.808700 16.487400 1XA 0 0.10000 0.10000 UNCH H9 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.476500 -4.203600 14.796100 1XA 0 0.10000 0.10000 UNCH H10 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -6.768300 -2.234000 13.936500 1XA 0 0.10000 0.10000 UNCH H11 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -7.289200 -1.837800 15.633200 1XA 0 0.10000 0.10000 UNCH H12 27
11 [DEBMOM01,11,11,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 5 2 0 0 0 0 0 0 0 0 0 0 14.478900 1.257500 0.336300 1XA 0 -0.57000 -0.57000 DEBM O1 1
16 5 1 9 1 0 0 0 0 0 0 0 0 14.571400 3.452000 0.789100 1XA 0 -0.65000 -0.65000 DEBM O2 2
18 8 1 0 0 0 0 0 0 0 0 0 0 15.370600 4.747500 2.628200 1XA 0 -0.90000 -0.90000 DEBM O3 3
15 8 2 0 0 0 0 0 0 0 0 0 0 16.355801 4.507400 4.679800 1XA 0 -0.90000 -0.90000 DEBM O4 4
2 1 2 2 1 6 1 0 0 0 0 0 0 14.789200 2.168700 1.098200 1XA 0 0.70560 0.70560 DEBM C1 5
2 5 1 7 2 10 1 0 0 0 0 0 0 15.422200 1.850300 2.397100 1XA 0 -0.13560 -0.13560 DEBM C2 6
2 6 2 8 1 11 1 0 0 0 0 0 0 15.865600 2.595300 3.420500 1XA 0 -0.40000 -0.40000 DEBM C3 7
2 3 1 4 2 7 1 0 0 0 0 0 0 15.864600 4.102500 3.595400 1XA 0 1.05000 1.05000 DEBM C4 8
42 2 1 0 0 0 0 0 0 0 0 0 0 14.874500 4.088700 1.503700 1XA 0 0.50000 0.50000 DEBM H1 9
41 6 1 0 0 0 0 0 0 0 0 0 0 15.532500 0.772800 2.503400 1XA 0 0.15000 0.15000 DEBM H2 10
41 7 1 0 0 0 0 0 0 0 0 0 0 16.299400 2.076300 4.275200 1XA 0 0.15000 0.15000 DEBM H3 11
21 [DECJAW,21,21,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 2 1 9 1 0 0 0 0 0 0 0 0 0.352000 3.206600 5.145800 1XA 0 -0.01910 -0.01910 UNCH O1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -0.862700 3.825300 5.449100 1XA 0 -0.40970 -0.40970 UNCH N2 2
2 2 2 4 1 13 1 0 0 0 0 0 0 -1.063400 4.696300 4.462800 1XA 0 0.35080 0.35080 UNCH C3 3
2 3 1 5 1 9 2 0 0 0 0 0 0 -0.024100 4.717700 3.531300 1XA 0 -0.18100 -0.18100 UNCH C31 4
3 4 1 6 1 14 1 15 1 0 0 0 0 0.297000 5.513700 2.328700 1XA 0 0.18100 0.18100 UNCH C4 5
3 5 1 7 1 16 1 17 1 0 0 0 0 1.830300 5.609000 2.163500 1XA 0 0.50300 0.50300 UNCH C5 6
32 6 1 8 1 18 1 19 1 0 0 0 0 2.485000 4.277200 2.232600 1XA 0 -0.90600 -0.90600 UNCH N6 7
3 7 1 9 1 10 1 20 1 0 0 0 0 2.139000 3.339800 3.446800 1XA 0 0.57700 0.57700 UNCH C7 8
2 1 1 4 2 8 1 0 0 0 0 0 0 0.826900 3.743500 3.997800 1XA 0 -0.04000 -0.04000 UNCH C71 9
2 8 1 11 2 12 1 0 0 0 0 0 0 2.063600 1.883400 2.883200 1XA 0 0.90600 0.90600 UNCH C8 10
15 10 2 0 0 0 0 0 0 0 0 0 0 1.959500 1.933200 1.606800 1XA 0 -0.90000 -0.90000 UNCH O81 11
18 10 1 0 0 0 0 0 0 0 0 0 0 2.218800 0.931500 3.676000 1XA 0 -0.90000 -0.90000 UNCH O82 12
16 3 1 21 1 0 0 0 0 0 0 0 0 -2.179000 5.430400 4.511800 1XA 0 -0.51200 -0.51200 UNCH O3 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -0.140900 5.033600 1.445600 1XA 0 0.00000 0.00000 UNCH H41 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -0.125300 6.521500 2.403900 1XA 0 0.00000 0.00000 UNCH H45 15
41 6 1 0 0 0 0 0 0 0 0 0 0 2.278600 6.216100 2.957900 1XA 0 0.00000 0.00000 UNCH H51 16
41 6 1 0 0 0 0 0 0 0 0 0 0 2.092200 6.044800 1.194800 1XA 0 0.00000 0.00000 UNCH H55 17
44 7 1 0 0 0 0 0 0 0 0 0 0 2.165400 3.635000 1.458600 1XA 0 0.45000 0.45000 UNCH H61 18
44 7 1 0 0 0 0 0 0 0 0 0 0 3.501700 4.277900 2.115700 1XA 0 0.45000 0.45000 UNCH H65 19
41 8 1 0 0 0 0 0 0 0 0 0 0 2.953300 3.468400 4.164900 1XA 0 0.00000 0.00000 UNCH H71 20
42 13 1 0 0 0 0 0 0 0 0 0 0 -2.289400 5.933400 3.692600 1XA 0 0.45000 0.45000 UNCH H3 21
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25 2 1 10 1 15 1 0 0 0 0 0 0 -8.906000 -3.063700 14.860800 1XA 0 -0.83820 -0.83820 UNCH N1 1
2 1 1 3 2 16 1 0 0 0 0 0 0 -9.156700 -3.394800 13.543400 1XA 0 -0.05000 -0.05000 UNCH C2 2
2 2 2 4 1 11 1 0 0 0 0 0 0 -8.980600 -4.614400 13.020500 1XA 0 0.02880 0.02880 UNCH C3 3
2 3 1 5 1 14 2 0 0 0 0 0 0 -8.442400 -5.661500 13.928900 1XA 0 0.61560 0.61560 UNCH C4 4
25 4 1 6 1 10 1 0 0 0 0 0 0 -8.128400 -5.289100 15.232000 1XA 0 -0.66020 -0.66020 UNCH N5 5
3 5 1 7 1 17 1 18 1 0 0 0 0 -7.783600 -6.340400 16.179199 1XA 0 0.30010 0.30010 UNCH C6 6
3 6 1 8 1 19 1 20 1 0 0 0 0 -9.041100 -6.811100 16.912901 1XA 0 0.00000 0.00000 UNCH C7 7
3 7 1 9 1 21 1 22 1 0 0 0 0 -9.782400 -5.632500 17.554100 1XA 0 0.00000 0.00000 UNCH C8 8
3 8 1 10 1 23 1 24 1 0 0 0 0 -10.022400 -4.495600 16.552099 1XA 0 0.00000 0.00000 UNCH C9 9
3 1 1 5 1 9 1 25 1 0 0 0 0 -8.709300 -4.110300 15.853700 1XA 0 0.66920 0.66920 UNCH C9_ 10
2 3 1 12 2 13 1 0 0 0 0 0 0 -9.309200 -4.822200 11.584100 1XA 0 0.61560 0.61560 UNCH C11 11
15 11 2 0 0 0 0 0 0 0 0 0 0 -9.760200 -3.937100 10.863000 1XA 0 -0.57000 -0.57000 UNCH O12 12
25 11 1 26 1 27 1 0 0 0 0 0 0 -9.089000 -6.067800 11.086500 1XA 0 -0.80000 -0.80000 UNCH N13 13
15 4 2 0 0 0 0 0 0 0 0 0 0 -8.268200 -6.809200 13.511300 1XA 0 -0.57000 -0.57000 UNCH O17 14
3 1 1 28 1 29 1 30 1 0 0 0 0 -9.166000 -1.720200 15.368300 1XA 0 0.36910 0.36910 UNCH C18 15
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.513300 -2.567500 12.931700 1XA 0 0.15000 0.15000 UNCH H2 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.305900 -7.183800 15.669800 1XA 0 0.00000 0.00000 UNCH H61 17
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.054900 -5.931600 16.889099 1XA 0 0.00000 0.00000 UNCH H62 18
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41 7 1 0 0 0 0 0 0 0 0 0 0 -8.774100 -7.546000 17.680099 1XA 0 0.00000 0.00000 UNCH H72 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.738900 -5.973900 17.965099 1XA 0 0.00000 0.00000 UNCH H81 21
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41 9 1 0 0 0 0 0 0 0 0 0 0 -10.450600 -3.633200 17.075600 1XA 0 0.00000 0.00000 UNCH H92 24
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43 13 1 0 0 0 0 0 0 0 0 0 0 -9.295000 -6.253700 10.116100 1XA 0 0.37000 0.37000 UNCH H131 26
43 13 1 0 0 0 0 0 0 0 0 0 0 -8.716600 -6.813200 11.672400 1XA 0 0.37000 0.37000 UNCH H132 27
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.650800 -1.546500 16.319000 1XA 0 0.00000 0.00000 UNCH H181 28
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.239800 -1.572500 15.523300 1XA 0 0.00000 0.00000 UNCH H182 29
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.810100 -0.963100 14.660900 1XA 0 0.00000 0.00000 UNCH H183 30
26 [DECRIM,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 4 1 5 1 0 0 0 0 0 0 0 0 -8.062700 -3.705400 14.627400 1XA 0 -0.33300 -0.33300 DECR O1 1
31 4 2 10 1 11 1 0 0 0 0 0 0 -10.043300 -4.217700 13.791900 1XA 0 -0.74700 -0.74700 DECR N1 2
25 4 1 12 1 13 1 0 0 0 0 0 0 -9.726500 -2.215300 15.140100 1XA 0 -0.81100 -0.81100 DECR N3 3
2 1 1 2 2 3 1 0 0 0 0 0 0 -9.352500 -3.339300 14.531800 1XA 0 0.92500 0.92500 DECR C1 4
2 1 1 6 2 10 1 0 0 0 0 0 0 -7.908700 -4.822800 13.860500 1XA 0 0.14000 0.14000 DECR C2 5
2 5 2 7 1 14 1 0 0 0 0 0 0 -6.738100 -5.533300 13.637200 1XA 0 -0.15000 -0.15000 DECR C3 6
2 6 1 8 2 15 1 0 0 0 0 0 0 -6.864500 -6.651200 12.803900 1XA 0 -0.15000 -0.15000 DECR C4 7
2 7 2 9 1 16 1 0 0 0 0 0 0 -8.098500 -7.012400 12.244200 1XA 0 -0.15000 -0.15000 DECR C5 8
2 8 1 10 2 20 1 0 0 0 0 0 0 -9.263700 -6.269100 12.496200 1XA 0 -0.15000 -0.15000 DECR C6 9
2 2 1 5 1 9 2 0 0 0 0 0 0 -9.138000 -5.153900 13.326500 1XA 0 0.33300 0.33300 DECR C7 10
3 2 1 26 1 25 1 24 1 0 0 0 0 -11.455600 -4.303200 13.512100 1XA 0 0.51400 0.51400 DECR C8 11
3 3 1 17 1 18 1 21 1 0 0 0 0 -11.001700 -1.546000 14.892700 1XA 0 0.48950 0.48950 DECR C10 12
3 3 1 19 1 22 1 23 1 0 0 0 0 -8.763800 -1.543800 16.036100 1XA 0 0.48950 0.48950 DECR C11 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.790300 -5.244200 14.076000 1XA 0 0.15000 0.15000 DECR H3 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.983100 -7.254900 12.585000 1XA 0 0.15000 0.15000 DECR H4 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.152200 -7.890400 11.599900 1XA 0 0.15000 0.15000 DECR H5 16
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.944500 -0.492900 15.185400 1XA 0 0.00000 0.00000 DECR H101 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.787000 -2.029300 15.478900 1XA 0 0.00000 0.00000 DECR H102 18
41 13 1 0 0 0 0 0 0 0 0 0 0 -7.984100 -1.067500 15.434900 1XA 0 0.00000 0.00000 DECR H112 19
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.203800 -6.570500 12.048200 1XA 0 0.15000 0.15000 DECR H1 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.242800 -1.576600 13.827100 1XA 0 0.00000 0.00000 DECR H2 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.270400 -0.783500 16.638100 1XA 0 0.00000 0.00000 DECR H6 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.319800 -2.274700 16.719000 1XA 0 0.00000 0.00000 DECR H7 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.749100 -5.316500 13.227000 1XA 0 0.00000 0.00000 DECR H8 24
41 11 1 0 0 0 0 0 0 0 0 0 0 -12.023900 -4.044000 14.408100 1XA 0 0.00000 0.00000 DECR H9 25
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.703400 -3.617000 12.698400 1XA 0 0.00000 0.00000 DECR H10 26
20 [DEDCIY,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 6 1 0 0 0 0 0 0 0 0 0 0 -12.524200 -5.217100 15.187600 1XA 0 -0.17700 -0.17700 UNCH CL1 1
57 8 1 0 0 0 0 0 0 0 0 0 0 -9.886900 -1.833900 11.912100 1XA 0 -0.17700 -0.17700 UNCH CL2 2
57 13 1 0 0 0 0 0 0 0 0 0 0 -6.998300 -4.055800 16.867300 1XA 0 -0.29000 -0.29000 UNCH CL3 3
15 12 2 0 0 0 0 0 0 0 0 0 0 -5.244700 -3.518800 14.169400 1XA 0 -0.57000 -0.57000 UNCH O1 4
25 9 1 12 1 17 1 0 0 0 0 0 0 -7.391600 -3.017300 13.454600 1XA 0 -0.54700 -0.54700 UNCH N1 5
2 1 1 7 2 11 1 0 0 0 0 0 0 -11.041300 -4.533700 14.641200 1XA 0 0.17700 0.17700 UNCH C1 6
2 6 2 8 1 15 1 0 0 0 0 0 0 -11.064100 -3.570300 13.619000 1XA 0 -0.15000 -0.15000 UNCH C2 7
2 2 1 7 1 9 2 0 0 0 0 0 0 -9.871000 -3.008200 13.165100 1XA 0 0.17700 0.17700 UNCH C3 8
2 5 1 8 2 10 1 0 0 0 0 0 0 -8.687200 -3.427500 13.748100 1XA 0 0.11700 0.11700 UNCH C4 9
2 9 1 11 2 13 1 0 0 0 0 0 0 -8.660000 -4.384600 14.764900 1XA 0 -0.14350 -0.14350 UNCH C5 10
2 6 1 10 2 16 1 0 0 0 0 0 0 -9.840000 -4.951000 15.224300 1XA 0 -0.15000 -0.15000 UNCH C6 11
2 4 2 5 1 13 1 0 0 0 0 0 0 -6.452900 -3.674500 14.245300 1XA 0 0.56900 0.56900 UNCH C7 12
3 3 1 10 1 12 1 14 1 0 0 0 0 -7.232600 -4.620600 15.193500 1XA 0 0.49450 0.49450 UNCH C8 13
3 13 1 18 1 19 1 20 1 0 0 0 0 -6.773800 -6.061400 15.033100 1XA 0 0.00000 0.00000 UNCH C9 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -12.012000 -3.264000 13.183400 1XA 0 0.15000 0.15000 UNCH H2 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.834400 -5.690400 16.020399 1XA 0 0.15000 0.15000 UNCH H6 16
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.142500 -2.334000 12.751600 1XA 0 0.37000 0.37000 UNCH H1 17
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.713700 -6.172400 15.288000 1XA 0 0.00000 0.00000 UNCH H91 18
41 14 1 0 0 0 0 0 0 0 0 0 0 -6.892100 -6.401100 13.997100 1XA 0 0.00000 0.00000 UNCH H92 19
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.349100 -6.743100 15.669600 1XA 0 0.00000 0.00000 UNCH H93 20
30 [DEDSIO,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
59 7 1 0 0 0 0 0 0 0 0 0 0 -5.927700 -3.748500 17.516500 1XA 0 -0.19000 -0.19000 DEDS I1 1
25 4 1 6 1 8 1 0 0 0 0 0 0 -7.603100 -5.678900 15.254800 1XA 0 -0.32900 -0.32900 DEDS N1 2
15 4 2 0 0 0 0 0 0 0 0 0 0 -9.148500 -7.053600 16.386600 1XA 0 -0.57000 -0.57000 DEDS O1 3
2 2 1 3 2 5 1 0 0 0 0 0 0 -8.039600 -6.671200 16.091499 1XA 0 0.57700 0.57700 DEDS C1 4
3 4 1 6 1 17 1 18 1 0 0 0 0 -6.607100 -7.083500 16.455900 1XA 0 0.05300 0.05300 DEDS C2 5
3 2 1 5 1 7 1 19 1 0 0 0 0 -6.172900 -6.017500 15.427400 1XA 0 0.22500 0.22500 DEDS C3 6
3 1 1 6 1 20 1 21 1 0 0 0 0 -5.277300 -4.839400 15.805400 1XA 0 0.19000 0.19000 DEDS C4 7
1 2 1 9 3 0 0 0 0 0 0 0 0 -8.264400 -4.855200 14.418100 1XA 0 0.04400 0.04400 DEDS C5 8
1 8 3 10 1 0 0 0 0 0 0 0 0 -8.846800 -4.116100 13.673200 1XA 0 -0.10500 -0.10500 DEDS C6 9
2 9 1 11 2 12 1 0 0 0 0 0 0 -9.538600 -3.228600 12.777400 1XA 0 0.82500 0.82500 DEDS C7 10
15 10 2 0 0 0 0 0 0 0 0 0 0 -8.990200 -2.808200 11.771700 1XA 0 -0.57000 -0.57000 DEDS O2 11
16 10 1 13 1 0 0 0 0 0 0 0 0 -10.794500 -2.959100 13.205300 1XA 0 -0.43000 -0.43000 DEDS O3 12
3 12 1 14 1 15 1 16 1 0 0 0 0 -11.661600 -2.082400 12.443300 1XA 0 0.28000 0.28000 DEDS C8 13
3 13 1 22 1 23 1 24 1 0 0 0 0 -11.085400 -0.664500 12.360900 1XA 0 0.00000 0.00000 DEDS C9 14
3 13 1 25 1 26 1 27 1 0 0 0 0 -12.971800 -2.034500 13.244000 1XA 0 0.00000 0.00000 DEDS C10 15
3 13 1 28 1 29 1 30 1 0 0 0 0 -11.956700 -2.661100 11.055000 1XA 0 0.00000 0.00000 DEDS C11 16
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.349100 -6.908800 17.502199 1XA 0 0.00000 0.00000 DEDS H21 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.363800 -8.114000 16.183300 1XA 0 0.00000 0.00000 DEDS H22 18
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.785400 -6.481400 14.507700 1XA 0 0.00000 0.00000 DEDS H3 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -4.263600 -5.212300 15.992500 1XA 0 0.00000 0.00000 DEDS H41 20
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.199700 -4.153000 14.953900 1XA 0 0.00000 0.00000 DEDS H42 21
41 14 1 0 0 0 0 0 0 0 0 0 0 -11.808600 0.035000 11.928000 1XA 0 0.00000 0.00000 DEDS H91 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.801900 -0.301800 13.355300 1XA 0 0.00000 0.00000 DEDS H92 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.182700 -0.625600 11.743900 1XA 0 0.00000 0.00000 DEDS H93 24
41 15 1 0 0 0 0 0 0 0 0 0 0 -13.719200 -1.394200 12.763800 1XA 0 0.00000 0.00000 DEDS H101 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -12.794700 -1.659000 14.258700 1XA 0 0.00000 0.00000 DEDS H102 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -13.396900 -3.038800 13.356200 1XA 0 0.00000 0.00000 DEDS H103 27
41 16 1 0 0 0 0 0 0 0 0 0 0 -11.069600 -2.658400 10.414300 1XA 0 0.00000 0.00000 DEDS H111 28
41 16 1 0 0 0 0 0 0 0 0 0 0 -12.734100 -2.086000 10.540600 1XA 0 0.00000 0.00000 DEDS H112 29
41 16 1 0 0 0 0 0 0 0 0 0 0 -12.286500 -3.703400 11.130300 1XA 0 0.00000 0.00000 DEDS H113 30
24 [DEFGIE,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
18 5 1 0 0 0 0 0 0 0 0 0 0 -7.650300 -1.963800 17.598900 1XA 0 -0.63300 -0.63300 DEFG O1 1
15 14 2 0 0 0 0 0 0 0 0 0 0 -8.297000 -8.617400 11.963100 1XA 0 -0.57000 -0.57000 DEFG O2 2
25 15 1 7 1 4 1 0 0 0 0 0 0 -7.867600 -3.243200 15.436200 1XA 0 -0.45800 -0.45800 DEFG N1 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -8.769600 -2.235200 15.640200 1XA 0 -0.24900 -0.24900 DEFG N2 4
31 1 1 4 2 13 1 0 0 0 0 0 0 -8.553900 -1.640500 16.750999 1XA 0 0.74100 0.74100 DEFG N3 5
25 19 1 18 1 14 1 0 0 0 0 0 0 -10.415300 -7.900100 11.686300 1XA 0 -0.80000 -0.80000 DEFG N4 6
2 3 1 12 1 8 2 0 0 0 0 0 0 -8.244700 -4.350200 14.656700 1XA 0 0.10000 0.10000 DEFG C1 7
2 7 2 16 1 9 1 0 0 0 0 0 0 -7.456500 -5.508200 14.688300 1XA 0 -0.15000 -0.15000 DEFG C2 8
2 8 1 17 1 10 2 0 0 0 0 0 0 -7.763000 -6.610500 13.883000 1XA 0 -0.15000 -0.15000 DEFG C3 9
2 9 2 14 1 11 1 0 0 0 0 0 0 -8.860000 -6.567800 13.016900 1XA 0 0.08620 0.08620 DEFG C4 10
2 10 1 20 1 12 2 0 0 0 0 0 0 -9.626900 -5.401100 12.941500 1XA 0 -0.15000 -0.15000 DEFG C5 11
2 7 1 11 2 21 1 0 0 0 0 0 0 -9.312900 -4.301800 13.750800 1XA 0 -0.15000 -0.15000 DEFG C6 12
3 5 1 24 1 23 1 22 1 0 0 0 0 -9.453200 -0.521900 17.048599 1XA 0 0.09900 0.09900 DEFG C7 13
2 2 2 6 1 10 1 0 0 0 0 0 0 -9.146800 -7.763000 12.179300 1XA 0 0.54380 0.54380 DEFG C8 14
43 3 1 0 0 0 0 0 0 0 0 0 0 -7.292900 -3.451800 16.259399 1XA 0 0.40000 0.40000 DEFG H1 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.589400 -5.564000 15.342700 1XA 0 0.15000 0.15000 DEFG H2 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.138400 -7.500800 13.930900 1XA 0 0.15000 0.15000 DEFG H3 17
43 6 1 0 0 0 0 0 0 0 0 0 0 -10.614600 -8.783100 11.233000 1XA 0 0.37000 0.37000 DEFG H41 18
43 6 1 0 0 0 0 0 0 0 0 0 0 -11.197900 -7.391800 12.071000 1XA 0 0.37000 0.37000 DEFG H42 19
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.449300 -5.311700 12.238400 1XA 0 0.15000 0.15000 DEFG H5 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.908000 -3.396600 13.657400 1XA 0 0.15000 0.15000 DEFG H6 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.160100 -0.067700 17.998501 1XA 0 0.00000 0.00000 DEFG H71 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.473800 -0.906100 17.119600 1XA 0 0.00000 0.00000 DEFG H72 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.372000 0.214800 16.245399 1XA 0 0.00000 0.00000 DEFG H73 24
30 [DEFLEF,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 24 1 19 1 12 1 2 1 0 0 0 0 -9.131400 -3.594800 15.625700 1XA 0 0.60020 0.60020 DEFL C7 1
25 1 1 6 1 3 1 0 0 0 0 0 0 -7.725000 -3.604900 15.343200 1XA 0 -0.34410 -0.34410 DEFL N1 2
31 2 1 5 2 4 1 0 0 0 0 0 0 -6.933400 -2.582300 15.850600 1XA 0 1.02400 1.02400 DEFL N11 3
18 3 1 0 0 0 0 0 0 0 0 0 0 -7.558800 -1.617800 16.288900 1XA 0 -0.52000 -0.52000 DEFL O12 4
15 3 2 0 0 0 0 0 0 0 0 0 0 -5.718900 -2.733200 15.783600 1XA 0 -0.52000 -0.52000 DEFL O13 5
2 2 1 8 1 7 2 0 0 0 0 0 0 -7.243500 -4.884500 15.119100 1XA 0 0.69000 0.69000 DEFL C2 6
15 6 2 0 0 0 0 0 0 0 0 0 0 -6.087200 -5.254800 15.013100 1XA 0 -0.57000 -0.57000 DEFL O21 7
25 6 1 12 1 9 1 0 0 0 0 0 0 -8.359500 -5.741400 14.978000 1XA 0 -0.42010 -0.42010 DEFL N3 8
2 8 1 11 2 10 1 0 0 0 0 0 0 -8.352300 -6.966200 15.614000 1XA 0 0.56900 0.56900 DEFL C31 9
3 9 1 30 1 29 1 28 1 0 0 0 0 -7.189900 -7.877400 15.317300 1XA 0 0.06100 0.06100 DEFL C33 10
15 9 2 0 0 0 0 0 0 0 0 0 0 -9.221800 -7.272300 16.429001 1XA 0 -0.57000 -0.57000 DEFL O32 11
3 1 1 8 1 23 1 13 1 0 0 0 0 -9.571900 -4.947200 15.044000 1XA 0 0.60020 0.60020 DEFL C8 12
25 12 1 17 1 14 1 0 0 0 0 0 0 -10.099000 -4.553500 13.769100 1XA 0 -0.34410 -0.34410 DEFL N4 13
31 13 1 16 2 15 1 0 0 0 0 0 0 -10.733900 -5.507800 12.984200 1XA 0 1.02400 1.02400 DEFL N41 14
18 14 1 0 0 0 0 0 0 0 0 0 0 -10.561900 -6.670000 13.348900 1XA 0 -0.52000 -0.52000 DEFL O43 15
15 14 2 0 0 0 0 0 0 0 0 0 0 -11.362500 -5.101300 12.013700 1XA 0 -0.52000 -0.52000 DEFL O42 16
2 13 1 19 1 18 2 0 0 0 0 0 0 -10.432400 -3.209300 13.731000 1XA 0 0.69000 0.69000 DEFL C5 17
15 17 2 0 0 0 0 0 0 0 0 0 0 -11.042100 -2.600600 12.868900 1XA 0 -0.57000 -0.57000 DEFL O51 18
25 1 1 17 1 20 1 0 0 0 0 0 0 -9.889600 -2.602400 14.887200 1XA 0 -0.42010 -0.42010 DEFL N6 19
2 19 1 22 2 21 1 0 0 0 0 0 0 -10.661000 -1.710900 15.604700 1XA 0 0.56900 0.56900 DEFL C61 20
3 20 1 27 1 26 1 25 1 0 0 0 0 -11.226900 -0.539500 14.844900 1XA 0 0.06100 0.06100 DEFL C62 21
15 20 2 0 0 0 0 0 0 0 0 0 0 -10.922400 -1.898000 16.792400 1XA 0 -0.57000 -0.57000 DEFL O63 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.377800 -5.384300 15.646900 1XA 0 0.00000 0.00000 DEFL H1 23
41 1 1 0 0 0 0 0 0 0 0 0 0 -9.279800 -3.573900 16.712799 1XA 0 0.00000 0.00000 DEFL H2 24
41 21 1 0 0 0 0 0 0 0 0 0 0 -12.231900 -0.781000 14.490200 1XA 0 0.00000 0.00000 DEFL H3 25
41 21 1 0 0 0 0 0 0 0 0 0 0 -11.276400 0.325800 15.512400 1XA 0 0.00000 0.00000 DEFL H4 26
41 21 1 0 0 0 0 0 0 0 0 0 0 -10.584900 -0.272300 14.001100 1XA 0 0.00000 0.00000 DEFL H5 27
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.407700 -7.733200 16.066601 1XA 0 0.00000 0.00000 DEFL H6 28
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.535200 -8.914900 15.349000 1XA 0 0.00000 0.00000 DEFL H7 29
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.790500 -7.690400 14.316700 1XA 0 0.00000 0.00000 DEFL H8 30
18 [DEFPUZ,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 7 1 2 1 0 0 0 0 0 0 0 0 -8.528000 -2.294900 13.203900 1XA 0 0.12770 0.12770 DEFP S1 1
25 1 1 6 2 0 0 0 0 0 0 0 0 -8.224900 -3.892800 12.881300 1XA 0 -0.50950 -0.50950 DEFP N1 2
31 8 1 7 2 6 1 0 0 0 0 0 0 -9.379300 -3.951500 14.887000 1XA 0 -0.74700 -0.74700 DEFP N2 3
25 10 1 9 1 6 1 0 0 0 0 0 0 -8.631800 -5.984300 13.901100 1XA 0 -0.85210 -0.85210 DEFP N3 4
25 12 1 11 1 7 1 0 0 0 0 0 0 -9.848200 -1.700000 15.468600 1XA 0 -0.73200 -0.73200 DEFP N4 5
2 2 2 3 1 4 1 0 0 0 0 0 0 -8.722700 -4.639100 13.867200 1XA 0 0.70480 0.70480 DEFP C1 6
2 1 1 3 2 5 1 0 0 0 0 0 0 -9.345700 -2.632700 14.683400 1XA 0 0.82500 0.82500 DEFP C2 7
3 3 1 15 1 14 1 13 1 0 0 0 0 -10.037400 -4.667100 15.961800 1XA 0 0.51400 0.51400 DEFP C3 8
3 4 1 18 1 17 1 16 1 0 0 0 0 -7.867800 -6.683400 12.879400 1XA 0 0.36910 0.36910 DEFP C4 9
43 4 1 0 0 0 0 0 0 0 0 0 0 -8.637900 -6.481800 14.782200 1XA 0 0.40000 0.40000 DEFP H3 10
43 5 1 0 0 0 0 0 0 0 0 0 0 -9.742100 -0.740100 15.166700 1XA 0 0.45000 0.45000 DEFP H410 11
43 5 1 0 0 0 0 0 0 0 0 0 0 -10.302900 -1.938600 16.333599 1XA 0 0.45000 0.45000 DEFP H420 12
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.708500 -5.428100 15.552400 1XA 0 0.00000 0.00000 DEFP H31 13
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.637100 -3.985900 16.569099 1XA 0 0.00000 0.00000 DEFP H32 14
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.283800 -5.133100 16.603100 1XA 0 0.00000 0.00000 DEFP H33 15
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.226800 -6.440700 11.873600 1XA 0 0.00000 0.00000 DEFP H41 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.980900 -7.763300 13.018400 1XA 0 0.00000 0.00000 DEFP H42 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.802200 -6.442700 12.954600 1XA 0 0.00000 0.00000 DEFP H43 18
27 [DEFTUD,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 11 1 9 1 2 1 0 0 0 0 0 0 -9.130400 -4.466300 14.831800 1XA 0 -0.11500 -0.11500 DEFT N1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -8.589000 -3.257900 14.522700 1XA 0 -0.06200 -0.06200 DEFT N2 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -7.380600 -3.161800 14.255700 1XA 0 -0.21100 -0.21100 DEFT N3 3
2 3 1 8 2 5 1 0 0 0 0 0 0 -6.563000 -4.263700 14.275000 1XA 0 0.71100 0.71100 DEFT C4 4
25 4 1 7 1 6 1 0 0 0 0 0 0 -5.211300 -4.095000 13.982600 1XA 0 -0.78820 -0.78820 DEFT N41 5
3 5 1 24 1 23 1 22 1 0 0 0 0 -4.370900 -5.266800 13.764700 1XA 0 0.36910 0.36910 DEFT C42 6
3 5 1 27 1 26 1 25 1 0 0 0 0 -4.739200 -2.857800 13.377500 1XA 0 0.36910 0.36910 DEFT C43 7
25 4 2 9 1 0 0 0 0 0 0 0 0 -7.006000 -5.444800 14.554700 1XA 0 -0.66100 -0.66100 DEFT N5 8
2 1 1 8 1 10 2 0 0 0 0 0 0 -8.328300 -5.604900 14.843500 1XA 0 0.84100 0.84100 DEFT C6 9
15 9 2 0 0 0 0 0 0 0 0 0 0 -8.733700 -6.736900 15.092700 1XA 0 -0.57000 -0.57000 DEFT O61 10
2 1 1 16 1 12 2 0 0 0 0 0 0 -10.540900 -4.422100 15.118800 1XA 0 0.11700 0.11700 DEFT C11 11
2 11 2 17 1 13 1 0 0 0 0 0 0 -11.238700 -3.196700 15.051900 1XA 0 -0.15000 -0.15000 DEFT C12 12
2 12 1 18 1 14 2 0 0 0 0 0 0 -12.609500 -3.110500 15.323700 1XA 0 -0.15000 -0.15000 DEFT C13 13
2 13 2 19 1 15 1 0 0 0 0 0 0 -13.322200 -4.250100 15.671400 1XA 0 -0.15000 -0.15000 DEFT C14 14
2 14 1 20 1 16 2 0 0 0 0 0 0 -12.662600 -5.470700 15.746800 1XA 0 -0.15000 -0.15000 DEFT C15 15
2 11 1 15 2 21 1 0 0 0 0 0 0 -11.289700 -5.554500 15.474200 1XA 0 -0.15000 -0.15000 DEFT C16 16
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.730100 -2.273000 14.784500 1XA 0 0.15000 0.15000 DEFT H12 17
41 13 1 0 0 0 0 0 0 0 0 0 0 -13.114600 -2.149800 15.262200 1XA 0 0.15000 0.15000 DEFT H13 18
41 14 1 0 0 0 0 0 0 0 0 0 0 -14.386200 -4.188900 15.883600 1XA 0 0.15000 0.15000 DEFT H14 19
41 15 1 0 0 0 0 0 0 0 0 0 0 -13.211300 -6.369400 16.019400 1XA 0 0.15000 0.15000 DEFT H15 20
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.846500 -6.541400 15.556900 1XA 0 0.15000 0.15000 DEFT H16 21
41 6 1 0 0 0 0 0 0 0 0 0 0 -3.310000 -4.996000 13.735000 1XA 0 0.00000 0.00000 DEFT H421 22
41 6 1 0 0 0 0 0 0 0 0 0 0 -4.487200 -5.993600 14.575900 1XA 0 0.00000 0.00000 DEFT H422 23
41 6 1 0 0 0 0 0 0 0 0 0 0 -4.627800 -5.749400 12.816000 1XA 0 0.00000 0.00000 DEFT H423 24
41 7 1 0 0 0 0 0 0 0 0 0 0 -3.645300 -2.802300 13.383300 1XA 0 0.00000 0.00000 DEFT H431 25
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.080600 -2.786600 12.339700 1XA 0 0.00000 0.00000 DEFT H432 26
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.101500 -1.984400 13.930000 1XA 0 0.00000 0.00000 DEFT H433 27
31 [DEFVAL,31,31,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 6 1 2 2 0 0 0 0 0 0 0 0 -8.434200 -2.823800 13.397700 1XA 0 -0.09300 -0.09300 DEFV N1 1
31 1 2 10 1 3 1 0 0 0 0 0 0 -9.693400 -2.394300 13.455500 1XA 0 0.39300 0.39300 DEFV N2 2
2 2 1 5 1 4 2 0 0 0 0 0 0 -9.706600 -0.881500 13.726100 1XA 0 1.11000 1.11000 DEFV C3 3
15 3 2 0 0 0 0 0 0 0 0 0 0 -10.761500 -0.287400 13.835800 1XA 0 -0.57000 -0.57000 DEFV O31 4
25 3 1 6 2 0 0 0 0 0 0 0 0 -8.412900 -0.540100 13.815500 1XA 0 -0.66100 -0.66100 DEFV N4 5
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3 7 1 27 1 26 1 25 1 0 0 0 0 -5.585900 -2.874100 13.715900 1XA 0 0.36910 0.36910 DEFV C52 8
3 7 1 30 1 29 1 28 1 0 0 0 0 -5.622600 -0.433700 14.072500 1XA 0 0.36910 0.36910 DEFV C53 9
25 2 1 31 1 11 1 0 0 0 0 0 0 -10.780500 -3.042900 13.291000 1XA 0 -0.34000 -0.34000 DEFV N21 10
2 10 1 16 2 12 1 0 0 0 0 0 0 -10.748600 -4.380300 13.763200 1XA 0 0.10000 0.10000 DEFV C22 11
2 11 1 18 1 13 2 0 0 0 0 0 0 -11.427000 -4.716200 14.944700 1XA 0 -0.15000 -0.15000 DEFV C23 12
2 12 2 19 1 14 1 0 0 0 0 0 0 -11.369400 -6.016800 15.452900 1XA 0 -0.15000 -0.15000 DEFV C24 13
2 13 1 17 1 15 2 0 0 0 0 0 0 -10.642400 -7.008200 14.787100 1XA 0 -0.14350 -0.14350 DEFV C25 14
2 14 2 20 1 16 1 0 0 0 0 0 0 -9.953400 -6.675900 13.617000 1XA 0 -0.15000 -0.15000 DEFV C26 15
2 11 2 15 1 21 1 0 0 0 0 0 0 -10.007700 -5.376000 13.107500 1XA 0 -0.15000 -0.15000 DEFV C27 16
3 14 1 24 1 23 1 22 1 0 0 0 0 -10.562700 -8.399100 15.348200 1XA 0 0.14350 0.14350 DEFV C28 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -12.010900 -3.979500 15.493400 1XA 0 0.15000 0.15000 DEFV H23 18
41 13 1 0 0 0 0 0 0 0 0 0 0 -11.902500 -6.257200 16.372299 1XA 0 0.15000 0.15000 DEFV H24 19
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41 17 1 0 0 0 0 0 0 0 0 0 0 -10.441700 -9.136600 14.547900 1XA 0 0.00000 0.00000 DEFV H283 24
41 8 1 0 0 0 0 0 0 0 0 0 0 -5.971700 -3.611900 13.004800 1XA 0 0.00000 0.00000 DEFV H521 25
41 8 1 0 0 0 0 0 0 0 0 0 0 -4.532700 -2.710100 13.464600 1XA 0 0.00000 0.00000 DEFV H522 26
41 8 1 0 0 0 0 0 0 0 0 0 0 -5.640400 -3.295300 14.724900 1XA 0 0.00000 0.00000 DEFV H523 27
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.018100 0.461600 13.581300 1XA 0 0.00000 0.00000 DEFV H531 28
41 9 1 0 0 0 0 0 0 0 0 0 0 -5.703000 -0.308100 15.157100 1XA 0 0.00000 0.00000 DEFV H532 29
41 9 1 0 0 0 0 0 0 0 0 0 0 -4.561400 -0.497800 13.809500 1XA 0 0.00000 0.00000 DEFV H533 30
43 10 1 0 0 0 0 0 0 0 0 0 0 -11.661400 -2.583100 13.541000 1XA 0 0.40000 0.40000 DEFV H1 31
18 [DEFYUI,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 4 2 0 0 0 0 0 0 0 0 0 0 4.535100 0.775300 0.619000 1XA 0 -0.38000 -0.38000 UNCH S1 1
49 4 1 10 1 0 0 0 0 0 0 0 0 7.426000 0.816400 1.203300 1XA 0 -0.32100 -0.32100 UNCH S2 2
25 6 1 11 1 12 1 0 0 0 0 0 0 3.546300 -2.083700 1.763300 1XA 0 -0.90000 -0.90000 UNCH N1 3
2 1 2 2 1 5 1 0 0 0 0 0 0 5.866800 -0.016500 1.280800 1XA 0 0.50660 0.50660 UNCH C1 4
2 4 1 6 2 9 1 0 0 0 0 0 0 5.905300 -1.374900 1.912900 1XA 0 -0.12380 -0.12380 UNCH C2 5
2 3 1 5 2 7 1 0 0 0 0 0 0 4.871200 -2.223200 2.076700 1XA 0 -0.03820 -0.03820 UNCH C3 6
3 6 1 8 1 13 1 14 1 0 0 0 0 5.318800 -3.516200 2.707900 1XA 0 0.13820 0.13820 UNCH C4 7
3 7 1 9 1 15 1 16 1 0 0 0 0 6.683800 -3.166100 3.274700 1XA 0 0.00000 0.00000 UNCH C5 8
3 5 1 8 1 17 1 18 1 0 0 0 0 7.175400 -1.988600 2.442100 1XA 0 0.13820 0.13820 UNCH C6 9
41 2 1 0 0 0 0 0 0 0 0 0 0 6.947600 1.918600 0.608400 1XA 0 0.18000 0.18000 UNCH H3 10
43 3 1 0 0 0 0 0 0 0 0 0 0 3.079100 -2.945300 1.492300 1XA 0 0.40000 0.40000 UNCH H1 11
43 3 1 0 0 0 0 0 0 0 0 0 0 3.344000 -1.308400 1.129900 1XA 0 0.40000 0.40000 UNCH H2 12
41 7 1 0 0 0 0 0 0 0 0 0 0 4.641400 -3.850500 3.500300 1XA 0 0.00000 0.00000 UNCH H41 13
41 7 1 0 0 0 0 0 0 0 0 0 0 5.390600 -4.302300 1.948100 1XA 0 0.00000 0.00000 UNCH H42 14
41 8 1 0 0 0 0 0 0 0 0 0 0 6.583900 -2.862800 4.325200 1XA 0 0.00000 0.00000 UNCH H51 15
41 8 1 0 0 0 0 0 0 0 0 0 0 7.376400 -4.013200 3.245600 1XA 0 0.00000 0.00000 UNCH H52 16
41 9 1 0 0 0 0 0 0 0 0 0 0 7.752400 -1.311900 3.079300 1XA 0 0.00000 0.00000 UNCH H61 17
41 9 1 0 0 0 0 0 0 0 0 0 0 7.806600 -2.331700 1.614600 1XA 0 0.00000 0.00000 UNCH H62 18
14 [DEGLUW,14,14,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 4 1 0 0 0 0 0 0 0 0 0 0 -7.065500 -3.058600 13.459600 1XA 0 -0.19900 -0.19900 DEGL CL1 1
25 8 1 7 1 4 1 0 0 0 0 0 0 -9.567300 -2.746300 13.502500 1XA 0 -0.75440 -0.75440 DEGL N1 2
31 6 1 5 1 4 2 0 0 0 0 0 0 -8.812700 -4.680000 14.604200 1XA 0 -0.83340 -0.83340 DEGL N2 3
2 1 1 2 1 3 2 0 0 0 0 0 0 -8.627400 -3.563300 13.910300 1XA 0 0.90780 0.90780 DEGL C1 4
3 3 1 11 1 10 1 9 1 0 0 0 0 -10.161600 -5.118300 14.994900 1XA 0 0.48950 0.48950 DEGL C2 5
3 3 1 14 1 13 1 12 1 0 0 0 0 -7.671300 -5.529200 15.012800 1XA 0 0.48950 0.48950 DEGL C3 6
43 2 1 0 0 0 0 0 0 0 0 0 0 -10.545900 -2.895900 13.683900 1XA 0 0.45000 0.45000 DEGL H3 7
43 2 1 0 0 0 0 0 0 0 0 0 0 -9.282700 -1.926800 12.979500 1XA 0 0.45000 0.45000 DEGL H4 8
41 5 1 0 0 0 0 0 0 0 0 0 0 -10.623100 -4.350400 15.622700 1XA 0 0.00000 0.00000 DEGL H21 9
41 5 1 0 0 0 0 0 0 0 0 0 0 -10.764800 -5.275500 14.095800 1XA 0 0.00000 0.00000 DEGL H22 10
41 5 1 0 0 0 0 0 0 0 0 0 0 -10.126000 -6.054400 15.558800 1XA 0 0.00000 0.00000 DEGL H23 11
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.999700 -4.954300 15.657200 1XA 0 0.00000 0.00000 DEGL H31 12
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41 6 1 0 0 0 0 0 0 0 0 0 0 -7.142000 -5.883700 14.123400 1XA 0 0.00000 0.00000 DEGL H33 14
37 [DEGRIQ,37,37,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 14 1 20 1 0 0 0 0 0 0 -7.985700 -5.711400 17.057899 1XA 0 -0.15000 -0.15000 DEGR C1 1
2 1 2 3 1 16 1 0 0 0 0 0 0 -6.595900 -5.750700 16.892500 1XA 0 -0.14350 -0.14350 DEGR C2 2
2 2 1 4 2 21 1 0 0 0 0 0 0 -5.918100 -4.574300 16.556900 1XA 0 -0.15000 -0.15000 DEGR C3 3
2 3 2 5 1 22 1 0 0 0 0 0 0 -6.620500 -3.382000 16.367201 1XA 0 -0.15000 -0.15000 DEGR C4 4
2 4 1 14 2 18 1 0 0 0 0 0 0 -8.010900 -3.337900 16.521900 1XA 0 0.10000 0.10000 DEGR C5 5
3 7 1 18 1 23 1 24 1 0 0 0 0 -8.896600 -1.841400 14.880300 1XA 0 0.51260 0.51260 DEGR C6 6
2 6 1 8 2 12 1 0 0 0 0 0 0 -10.102300 -2.560600 14.314400 1XA 0 -0.14350 -0.14350 DEGR C7 7
2 7 2 9 1 25 1 0 0 0 0 0 0 -10.329400 -2.569900 12.928600 1XA 0 -0.15000 -0.15000 DEGR C8 8
2 8 1 10 2 17 1 0 0 0 0 0 0 -11.442200 -3.227300 12.390100 1XA 0 -0.14350 -0.14350 DEGR C9 9
2 9 2 11 1 26 1 0 0 0 0 0 0 -12.318200 -3.896300 13.250900 1XA 0 -0.15000 -0.15000 DEGR C10 10
2 10 1 12 2 27 1 0 0 0 0 0 0 -12.101100 -3.885400 14.630700 1XA 0 -0.15000 -0.15000 DEGR C11 11
2 7 1 11 2 19 1 0 0 0 0 0 0 -11.001500 -3.213700 15.177200 1XA 0 0.10000 0.10000 DEGR C12 12
3 14 1 19 1 28 1 29 1 0 0 0 0 -10.202100 -4.494700 17.032700 1XA 0 0.51260 0.51260 DEGR C13 13
2 1 1 5 2 13 1 0 0 0 0 0 0 -8.698200 -4.517200 16.862700 1XA 0 -0.14350 -0.14350 DEGR C14 14
3 18 1 19 1 30 1 31 1 0 0 0 0 -9.981400 -2.097100 17.014700 1XA 0 0.73820 0.73820 DEGR C15 15
3 2 1 32 1 33 1 34 1 0 0 0 0 -5.837600 -7.022700 17.130501 1XA 0 0.14350 0.14350 DEGR C16 16
3 9 1 35 1 36 1 37 1 0 0 0 0 -11.657600 -3.266400 10.906300 1XA 0 0.14350 0.14350 DEGR C17 17
25 5 1 6 1 15 1 0 0 0 0 0 0 -8.701600 -2.116600 16.316099 1XA 0 -0.83820 -0.83820 DEGR N1 18
25 12 1 13 1 15 1 0 0 0 0 0 0 -10.798700 -3.223900 16.580700 1XA 0 -0.83820 -0.83820 DEGR N2 19
41 1 1 0 0 0 0 0 0 0 0 0 0 -8.522000 -6.617300 17.333200 1XA 0 0.15000 0.15000 DEGR H1 20
41 3 1 0 0 0 0 0 0 0 0 0 0 -4.836800 -4.575100 16.442600 1XA 0 0.15000 0.15000 DEGR H3 21
41 4 1 0 0 0 0 0 0 0 0 0 0 -6.078100 -2.475300 16.113001 1XA 0 0.15000 0.15000 DEGR H4 22
41 6 1 0 0 0 0 0 0 0 0 0 0 -9.060700 -0.762600 14.762500 1XA 0 0.00000 0.00000 DEGR H61 23
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.000100 -2.090900 14.298100 1XA 0 0.00000 0.00000 DEGR H62 24
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.628600 -2.065200 12.266700 1XA 0 0.15000 0.15000 DEGR H8 25
41 10 1 0 0 0 0 0 0 0 0 0 0 -13.180000 -4.428200 12.855100 1XA 0 0.15000 0.15000 DEGR H10 26
41 11 1 0 0 0 0 0 0 0 0 0 0 -12.801300 -4.395300 15.286800 1XA 0 0.15000 0.15000 DEGR H11 27
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.423200 -4.610500 18.101500 1XA 0 0.00000 0.00000 DEGR H131 28
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.653000 -5.354700 16.521000 1XA 0 0.00000 0.00000 DEGR H132 29
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.506300 -1.148800 16.830900 1XA 0 0.00000 0.00000 DEGR H151 30
41 15 1 0 0 0 0 0 0 0 0 0 0 -9.825300 -2.130900 18.102400 1XA 0 0.00000 0.00000 DEGR H152 31
41 16 1 0 0 0 0 0 0 0 0 0 0 -4.932500 -7.059400 16.515100 1XA 0 0.00000 0.00000 DEGR H161 32
41 16 1 0 0 0 0 0 0 0 0 0 0 -6.445000 -7.894600 16.865900 1XA 0 0.00000 0.00000 DEGR H162 33
41 16 1 0 0 0 0 0 0 0 0 0 0 -5.552200 -7.096500 18.184401 1XA 0 0.00000 0.00000 DEGR H163 34
41 17 1 0 0 0 0 0 0 0 0 0 0 -11.278500 -2.354700 10.432600 1XA 0 0.00000 0.00000 DEGR H171 35
41 17 1 0 0 0 0 0 0 0 0 0 0 -12.724100 -3.336200 10.667700 1XA 0 0.00000 0.00000 DEGR H172 36
41 17 1 0 0 0 0 0 0 0 0 0 0 -11.141400 -4.130000 10.476000 1XA 0 0.00000 0.00000 DEGR H173 37
18 [DEKRUG,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 8 1 3 1 2 1 0 0 0 0 0 0 -7.886500 -4.666500 14.358400 1XA 0 -0.66020 -0.66020 CHGB N1 1
3 1 1 17 1 16 1 15 1 0 0 0 0 -8.072900 -5.640800 13.312300 1XA 0 0.30010 0.30010 CHGB C1 2
2 1 1 5 1 4 2 0 0 0 0 0 0 -6.656900 -4.188500 14.751400 1XA 0 0.69000 0.69000 CHGB C2 3
15 3 2 0 0 0 0 0 0 0 0 0 0 -5.562700 -4.633200 14.438300 1XA 0 -0.57000 -0.57000 CHGB O2 4
25 3 1 18 1 6 1 0 0 0 0 0 0 -6.838600 -3.129600 15.576700 1XA 0 -0.49000 -0.49000 CHGB N3 5
2 5 1 8 1 7 2 0 0 0 0 0 0 -8.160500 -2.805300 15.674600 1XA 0 0.56900 0.56900 CHGB C4 6
15 6 2 0 0 0 0 0 0 0 0 0 0 -8.576400 -1.899300 16.386200 1XA 0 -0.57000 -0.57000 CHGB O4 7
3 1 1 6 1 14 1 9 1 0 0 0 0 -8.954000 -3.764300 14.765200 1XA 0 0.70210 0.70210 CHGB C5 8
2 8 1 11 1 10 2 0 0 0 0 0 0 -9.625300 -3.059300 13.616600 1XA 0 0.28900 0.28900 CHGB C6 9
15 9 2 0 0 0 0 0 0 0 0 0 0 -9.037500 -2.397400 12.766200 1XA 0 -0.57000 -0.57000 CHGB O6 10
201 9 1 12 1 0 0 0 0 0 0 0 0 -10.923500 -3.321600 13.674200 1XA 0 -0.56000 -0.56000 CHGB N7 11
2 11 1 14 1 13 2 0 0 0 0 0 0 -11.133200 -4.137600 14.703300 1XA 0 0.50000 0.50000 CHGB C8 12
15 12 2 0 0 0 0 0 0 0 0 0 0 -12.213200 -4.592600 15.057800 1XA 0 -0.57000 -0.57000 CHGB O8 13
16 8 1 12 1 0 0 0 0 0 0 0 0 -9.988800 -4.477300 15.367000 1XA 0 -0.43000 -0.43000 CHGB O9 14
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.199700 -6.296900 13.254300 1XA 0 0.00000 0.00000 CHGB H11 15
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.961900 -6.240400 13.523200 1XA 0 0.00000 0.00000 CHGB H12 16
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.183800 -5.127600 12.353200 1XA 0 0.00000 0.00000 CHGB H13 17
43 5 1 0 0 0 0 0 0 0 0 0 0 -6.096100 -2.620000 16.016500 1XA 0 0.37000 0.37000 CHGB H3 18
23 [DEMBIG,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 2 9 1 0 0 0 0 0 0 0 0 -7.744500 -3.791600 15.285200 1XA 0 -0.12600 -0.12600 UNCH N1 1
25 1 2 3 1 0 0 0 0 0 0 0 0 -7.195900 -4.291800 14.276600 1XA 0 -0.06200 -0.06200 UNCH N2 2
25 2 1 4 1 10 1 0 0 0 0 0 0 -7.864200 -5.223100 13.514300 1XA 0 -0.29810 -0.29810 UNCH N3 3
2 3 1 5 1 13 2 0 0 0 0 0 0 -9.150300 -5.668500 13.760900 1XA 0 0.63900 0.63900 UNCH C4 4
25 4 1 6 1 9 1 0 0 0 0 0 0 -9.675600 -5.067500 14.885500 1XA 0 0.29420 0.29420 UNCH N5 5
2 5 1 7 2 21 1 0 0 0 0 0 0 -10.905200 -5.247200 15.453100 1XA 0 0.03650 0.03650 UNCH C6 6
25 6 2 8 1 0 0 0 0 0 0 0 0 -11.054100 -4.501900 16.524200 1XA 0 -0.56530 -0.56530 UNCH N7 7
2 7 1 9 2 14 1 0 0 0 0 0 0 -9.863900 -3.797000 16.661400 1XA 0 0.14120 0.14120 UNCH C8 8
2 1 1 5 1 8 2 0 0 0 0 0 0 -8.997700 -4.150200 15.637200 1XA 0 -0.02560 -0.02560 UNCH C810 9
3 3 1 11 1 17 1 18 1 0 0 0 0 -7.146300 -5.730800 12.351100 1XA 0 0.30010 0.30010 UNCH C31 10
3 10 1 12 1 19 1 20 1 0 0 0 0 -7.645700 -5.154100 11.027800 1XA 0 0.29000 0.29000 UNCH C32 11
57 11 1 0 0 0 0 0 0 0 0 0 0 -7.322700 -3.406000 10.909200 1XA 0 -0.29000 -0.29000 UNCH CL1 12
15 4 2 0 0 0 0 0 0 0 0 0 0 -9.809600 -6.477400 13.124500 1XA 0 -0.57000 -0.57000 UNCH O4 13
2 8 1 15 1 16 2 0 0 0 0 0 0 -9.630100 -2.843200 17.747601 1XA 0 0.71600 0.71600 UNCH C81 14
25 14 1 22 1 23 1 0 0 0 0 0 0 -8.422600 -2.197800 17.745501 1XA 0 -0.80000 -0.80000 UNCH N82 15
15 14 2 0 0 0 0 0 0 0 0 0 0 -10.443700 -2.599900 18.633600 1XA 0 -0.57000 -0.57000 UNCH O82 16
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.281500 -6.819000 12.330100 1XA 0 0.00000 0.00000 UNCH H1 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.073700 -5.541200 12.479300 1XA 0 0.00000 0.00000 UNCH H2 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.132400 -5.635600 10.190400 1XA 0 0.00000 0.00000 UNCH H3 19
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.722300 -5.298600 10.900800 1XA 0 0.00000 0.00000 UNCH H4 20
41 6 1 0 0 0 0 0 0 0 0 0 0 -11.640900 -5.928700 15.044100 1XA 0 0.15000 0.15000 UNCH H5 21
43 15 1 0 0 0 0 0 0 0 0 0 0 -8.261900 -1.516300 18.473801 1XA 0 0.37000 0.37000 UNCH H6 22
43 15 1 0 0 0 0 0 0 0 0 0 0 -7.728000 -2.324200 17.023100 1XA 0 0.37000 0.37000 UNCH H7 23
19 [DEPKEO,19,19,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 14 1 0 0 0 0 0 0 0 0 -7.763400 -5.397800 15.585700 1XA 0 -0.20300 -0.20300 UNCH S10 1
2 1 1 3 2 7 1 0 0 0 0 0 0 -7.552400 -3.685600 15.224900 1XA 0 0.41150 0.41150 UNCH C101 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -6.422200 -3.121100 15.733800 1XA 0 -0.62000 -0.62000 UNCH N1 3
2 3 1 5 2 15 1 0 0 0 0 0 0 -6.236500 -1.809500 15.471700 1XA 0 0.16000 0.16000 UNCH C2 4
2 4 2 6 1 16 1 0 0 0 0 0 0 -7.137900 -1.073800 14.729300 1XA 0 0.16000 0.16000 UNCH C3 5
25 5 1 7 2 0 0 0 0 0 0 0 0 -8.262700 -1.618600 14.217900 1XA 0 -0.62000 -0.62000 UNCH N4 6
2 2 1 6 2 8 1 0 0 0 0 0 0 -8.460500 -2.939800 14.475600 1XA 0 0.39250 0.39250 UNCH C41 7
16 7 1 9 1 0 0 0 0 0 0 0 0 -9.619400 -3.415800 13.924600 1XA 0 -0.16500 -0.16500 UNCH O5 8
2 8 1 10 2 14 1 0 0 0 0 0 0 -9.988500 -4.723200 14.076900 1XA 0 0.08250 0.08250 UNCH C51 9
2 9 2 11 1 17 1 0 0 0 0 0 0 -11.194200 -5.071500 13.461900 1XA 0 -0.15000 -0.15000 UNCH C6 10
2 10 1 12 2 18 1 0 0 0 0 0 0 -11.668400 -6.375200 13.551000 1XA 0 -0.15000 -0.15000 UNCH C7 11
2 11 2 13 1 19 1 0 0 0 0 0 0 -10.913600 -7.291200 14.257800 1XA 0 0.16000 0.16000 UNCH C8 12
25 12 1 14 2 0 0 0 0 0 0 0 0 -9.745900 -6.986900 14.862700 1XA 0 -0.62000 -0.62000 UNCH N9 13
2 1 1 9 1 13 2 0 0 0 0 0 0 -9.295600 -5.709200 14.766900 1XA 0 0.41150 0.41150 UNCH C91 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -5.335500 -1.364700 15.878900 1XA 0 0.15000 0.15000 UNCH H2 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.981000 -0.021000 14.523500 1XA 0 0.15000 0.15000 UNCH H3 16
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.762100 -4.323800 12.913500 1XA 0 0.15000 0.15000 UNCH H6 17
41 11 1 0 0 0 0 0 0 0 0 0 0 -12.601300 -6.667000 13.081500 1XA 0 0.15000 0.15000 UNCH H7 18
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.233800 -8.324300 14.361300 1XA 0 0.15000 0.15000 UNCH H8 19
31 [DERZUV,31,31,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
31 2 1 6 2 7 1 0 0 0 0 0 0 -8.176900 -4.855000 15.233700 1XA 0 -0.40540 -0.40540 DERZ N1 1
2 1 1 3 2 4 1 0 0 0 0 0 0 -7.273900 -4.197700 16.120199 1XA 0 1.01100 1.01100 DERZ C2 2
15 2 2 0 0 0 0 0 0 0 0 0 0 -7.185400 -4.382900 17.317301 1XA 0 -0.57000 -0.57000 DERZ O2 3
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20 [DEZDUH,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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28 [DEZNIF,28,28,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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18 [DEZXEL,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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28 [DHOADS01,28,28,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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32 [DICKIJ,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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18 [DICPUA,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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18 [DICRAI,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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41 7 1 0 0 0 0 0 0 0 0 0 0 -9.780200 -2.374800 17.746599 1XA 0 0.15000 0.15000 DICR H7 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.876800 -3.846600 16.112101 1XA 0 0.15000 0.15000 DICR H8 18
22 [DICYIX,22,22,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
60 2 1 3 1 4 1 5 1 0 0 0 0 -8.861500 -4.924400 14.352900 1XA 0 0.58850 0.58850 UNCH SI1 1
26 1 1 6 1 7 1 0 0 0 0 0 0 -9.413600 -3.296800 14.666200 1XA 0 -0.88700 -0.88700 UNCH N1 2
3 1 1 8 1 9 1 10 1 0 0 0 0 -10.303500 -5.977600 13.794700 1XA 0 -0.08050 -0.08050 UNCH C1 3
3 1 1 11 1 12 1 13 1 0 0 0 0 -7.556600 -4.870600 13.015100 1XA 0 -0.08050 -0.08050 UNCH C2 4
3 1 1 14 1 15 1 16 1 0 0 0 0 -8.140000 -5.652400 15.918000 1XA 0 -0.08050 -0.08050 UNCH C3 5
3 2 1 17 1 18 1 19 1 0 0 0 0 -8.533700 -2.321000 15.330200 1XA 0 0.27000 0.27000 UNCH C4 6
3 2 1 20 1 21 1 22 1 0 0 0 0 -10.224000 -2.575000 13.671400 1XA 0 0.27000 0.27000 UNCH C5 7
41 3 1 0 0 0 0 0 0 0 0 0 0 -9.990400 -7.017600 13.661000 1XA 0 0.00000 0.00000 UNCH H11 8
41 3 1 0 0 0 0 0 0 0 0 0 0 -10.705900 -5.623400 12.841000 1XA 0 0.00000 0.00000 UNCH H12 9
41 3 1 0 0 0 0 0 0 0 0 0 0 -11.109600 -5.959200 14.534400 1XA 0 0.00000 0.00000 UNCH H13 10
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.188500 -5.877000 12.794100 1XA 0 0.00000 0.00000 UNCH H21 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -6.703900 -4.258800 13.324600 1XA 0 0.00000 0.00000 UNCH H22 12
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.961300 -4.447800 12.090600 1XA 0 0.00000 0.00000 UNCH H23 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.852600 -6.696300 15.759000 1XA 0 0.00000 0.00000 UNCH H31 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.868200 -5.622300 16.734200 1XA 0 0.00000 0.00000 UNCH H32 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.248100 -5.103700 16.234600 1XA 0 0.00000 0.00000 UNCH H33 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.055600 -2.750000 16.218300 1XA 0 0.00000 0.00000 UNCH H41 17
41 6 1 0 0 0 0 0 0 0 0 0 0 -9.100800 -1.453100 15.687500 1XA 0 0.00000 0.00000 UNCH H42 18
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.746400 -1.965600 14.654900 1XA 0 0.00000 0.00000 UNCH H43 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.040300 -3.198600 13.289100 1XA 0 0.00000 0.00000 UNCH H51 20
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.615900 -2.246600 12.820200 1XA 0 0.00000 0.00000 UNCH H52 21
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.704400 -1.694100 14.113600 1XA 0 0.00000 0.00000 UNCH H53 22
26 [DICYOD,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 9 1 0 0 0 0 0 0 0 0 0 0 -5.301000 -4.432900 12.081200 1XA 0 -0.20900 -0.20900 UNCH CL1 1
57 10 1 0 0 0 0 0 0 0 0 0 0 -7.439100 -6.915400 14.954400 1XA 0 -0.29000 -0.29000 UNCH CL2 2
57 10 1 0 0 0 0 0 0 0 0 0 0 -4.679100 -6.033500 15.022200 1XA 0 -0.29000 -0.29000 UNCH CL3 3
57 12 1 0 0 0 0 0 0 0 0 0 0 -8.905700 -3.977700 16.742599 1XA 0 -0.20900 -0.20900 UNCH CL4 4
15 9 2 0 0 0 0 0 0 0 0 0 0 -6.646200 -6.697400 12.150800 1XA 0 -0.57000 -0.57000 UNCH O1 5
15 11 2 0 0 0 0 0 0 0 0 0 0 -6.146400 -3.538900 15.491800 1XA 0 -0.57000 -0.57000 UNCH O2 6
25 11 1 12 2 0 0 0 0 0 0 0 0 -8.015600 -3.931100 14.244800 1XA 0 -0.66100 -0.66100 UNCH N1 7
25 12 1 13 1 15 1 0 0 0 0 0 0 -10.263300 -3.326800 14.546600 1XA 0 -0.78820 -0.78820 UNCH N2 8
2 1 1 5 2 10 1 0 0 0 0 0 0 -6.189700 -5.763600 12.810600 1XA 0 0.71800 0.71800 UNCH C1 9
3 2 1 3 1 9 1 11 1 0 0 0 0 -6.295200 -5.669300 14.327500 1XA 0 0.70200 0.70200 UNCH C2 10
2 6 2 7 1 10 1 0 0 0 0 0 0 -6.800900 -4.298300 14.781600 1XA 0 0.72000 0.72000 UNCH C3 11
2 4 1 7 2 8 1 0 0 0 0 0 0 -9.027000 -3.724000 15.035700 1XA 0 0.70900 0.70900 UNCH C4 12
3 8 1 14 1 17 1 18 1 0 0 0 0 -11.440500 -3.063200 15.377600 1XA 0 0.36910 0.36910 UNCH C5 13
3 13 1 19 1 20 1 21 1 0 0 0 0 -12.235200 -4.340500 15.602900 1XA 0 0.00000 0.00000 UNCH C6 14
3 8 1 16 1 22 1 23 1 0 0 0 0 -10.449000 -3.104700 13.107700 1XA 0 0.36910 0.36910 UNCH C7 15
3 15 1 24 1 25 1 26 1 0 0 0 0 -10.014700 -1.699300 12.721600 1XA 0 0.00000 0.00000 UNCH C8 16
41 13 1 0 0 0 0 0 0 0 0 0 0 -12.089600 -2.326100 14.888200 1XA 0 0.00000 0.00000 UNCH H51 17
41 13 1 0 0 0 0 0 0 0 0 0 0 -11.165300 -2.607400 16.334600 1XA 0 0.00000 0.00000 UNCH H52 18
41 14 1 0 0 0 0 0 0 0 0 0 0 -11.639500 -5.101700 16.115700 1XA 0 0.00000 0.00000 UNCH H61 19
41 14 1 0 0 0 0 0 0 0 0 0 0 -13.119700 -4.133100 16.213100 1XA 0 0.00000 0.00000 UNCH H62 20
41 14 1 0 0 0 0 0 0 0 0 0 0 -12.571100 -4.767300 14.652000 1XA 0 0.00000 0.00000 UNCH H63 21
41 15 1 0 0 0 0 0 0 0 0 0 0 -9.888200 -3.844800 12.524600 1XA 0 0.00000 0.00000 UNCH H71 22
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.501100 -3.246400 12.831900 1XA 0 0.00000 0.00000 UNCH H72 23
41 16 1 0 0 0 0 0 0 0 0 0 0 -8.955000 -1.534300 12.940900 1XA 0 0.00000 0.00000 UNCH H81 24
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.169200 -1.535800 11.650600 1XA 0 0.00000 0.00000 UNCH H82 25
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.589900 -0.944700 13.268200 1XA 0 0.00000 0.00000 UNCH H83 26
24 [DIDYOE,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 6 1 9 1 0 0 0 0 0 0 0 0 -6.894400 -4.099600 12.922900 1XA 0 -0.21700 -0.21700 DICY O1 1
16 10 1 14 1 0 0 0 0 0 0 0 0 -9.247200 -2.533100 15.284200 1XA 0 -0.68000 -0.68000 DICY O2 2
16 11 1 15 1 0 0 0 0 0 0 0 0 -10.541700 -3.601200 13.227300 1XA 0 -0.68000 -0.68000 DICY O3 3
15 12 2 0 0 0 0 0 0 0 0 0 0 -9.786700 -6.014000 15.823000 1XA 0 -0.57000 -0.57000 DICY O4 4
16 12 1 13 1 0 0 0 0 0 0 0 0 -11.652300 -5.548300 14.564500 1XA 0 -0.43000 -0.43000 DICY O5 5
25 1 1 7 2 0 0 0 0 0 0 0 0 -5.674100 -4.354700 13.592700 1XA 0 -0.51300 -0.51300 DICY N2 6
2 6 2 8 1 16 1 0 0 0 0 0 0 -5.445500 -3.335000 14.347300 1XA 0 0.32900 0.32900 DICY C3 7
3 7 1 9 1 17 1 18 1 0 0 0 0 -6.456100 -2.257500 14.288300 1XA 0 0.06100 0.06100 DICY C4 8
3 1 1 8 1 10 1 19 1 0 0 0 0 -7.566800 -3.038500 13.619100 1XA 0 0.28000 0.28000 DICY C5 9
3 2 1 9 1 11 1 20 1 0 0 0 0 -8.584000 -3.624300 14.616100 1XA 0 0.28000 0.28000 DICY C6 10
3 3 1 10 1 12 1 21 1 0 0 0 0 -9.633600 -4.490700 13.899600 1XA 0 0.34100 0.34100 DICY C7 11
2 4 2 5 1 11 1 0 0 0 0 0 0 -10.330300 -5.423200 14.900700 1XA 0 0.65900 0.65900 DICY C8 12
3 5 1 22 1 23 1 24 1 0 0 0 0 -12.388000 -6.411300 15.433900 1XA 0 0.28000 0.28000 DICY C9 13
42 2 1 0 0 0 0 0 0 0 0 0 0 -9.959500 -2.250100 14.672400 1XA 0 0.40000 0.40000 DICY H2 14
42 3 1 0 0 0 0 0 0 0 0 0 0 -11.306600 -4.153200 12.969600 1XA 0 0.40000 0.40000 DICY H3 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -4.546000 -3.231400 14.969700 1XA 0 0.06000 0.06000 DICY H31 16
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.695500 -1.864300 15.277600 1XA 0 0.00000 0.00000 DICY H41 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.064000 -1.455800 13.655800 1XA 0 0.00000 0.00000 DICY H42 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.078800 -2.398300 12.891500 1XA 0 0.00000 0.00000 DICY H5 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.054600 -4.212000 15.374500 1XA 0 0.00000 0.00000 DICY H6 20
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.180300 -5.142500 13.145200 1XA 0 0.00000 0.00000 DICY H7 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -13.428300 -6.423400 15.097300 1XA 0 0.00000 0.00000 DICY H91 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -12.361000 -6.035400 16.461500 1XA 0 0.00000 0.00000 DICY H92 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -11.994900 -7.431400 15.382000 1XA 0 0.00000 0.00000 DICY H93 24
28 [DIFSIU,28,28,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 2 9 1 15 1 0 0 0 0 0 0 -9.203900 -6.033800 16.142099 1XA 0 0.37200 0.37200 DIFS S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -10.097300 -5.831600 17.332800 1XA 0 -0.50000 -0.50000 DIFS O1 2
18 7 1 0 0 0 0 0 0 0 0 0 0 -8.118900 -6.988600 13.389000 1XA 0 -0.52000 -0.52000 DIFS O2 3
15 7 2 0 0 0 0 0 0 0 0 0 0 -7.556300 -5.034600 12.545700 1XA 0 -0.52000 -0.52000 DIFS O3 4
18 8 1 0 0 0 0 0 0 0 0 0 0 -6.420200 -7.067600 16.684700 1XA 0 -0.52000 -0.52000 DIFS O4 5
15 8 2 0 0 0 0 0 0 0 0 0 0 -5.165400 -6.285800 15.058400 1XA 0 -0.52000 -0.52000 DIFS O5 6
31 3 1 4 2 10 1 0 0 0 0 0 0 -8.349900 -5.812200 13.089300 1XA 0 0.90700 0.90700 DIFS N1 7
31 5 1 6 2 16 1 0 0 0 0 0 0 -6.038000 -6.167100 15.928100 1XA 0 0.90700 0.90700 DIFS N2 8
2 1 1 10 2 14 1 0 0 0 0 0 0 -10.144600 -5.344900 14.734800 1XA 0 0.06400 0.06400 DIFS C1 9
2 7 1 9 2 11 1 0 0 0 0 0 0 -9.656500 -5.287500 13.421700 1XA 0 0.13300 0.13300 DIFS C2 10
2 10 1 12 2 21 1 0 0 0 0 0 0 -10.404300 -4.728400 12.372800 1XA 0 -0.15000 -0.15000 DIFS C3 11
2 11 2 13 1 22 1 0 0 0 0 0 0 -11.680300 -4.234800 12.631100 1XA 0 -0.15000 -0.15000 DIFS C4 12
2 12 1 14 2 23 1 0 0 0 0 0 0 -12.200700 -4.304900 13.921700 1XA 0 -0.15000 -0.15000 DIFS C5 13
2 9 1 13 2 24 1 0 0 0 0 0 0 -11.443200 -4.857000 14.961100 1XA 0 -0.15000 -0.15000 DIFS C6 14
2 1 1 16 2 20 1 0 0 0 0 0 0 -8.009900 -4.664300 16.249901 1XA 0 0.06400 0.06400 DIFS C7 15
2 8 1 15 2 17 1 0 0 0 0 0 0 -6.625500 -4.845100 16.100300 1XA 0 0.13300 0.13300 DIFS C8 16
2 16 1 18 2 25 1 0 0 0 0 0 0 -5.737700 -3.756500 16.145201 1XA 0 -0.15000 -0.15000 DIFS C9 17
2 17 2 19 1 26 1 0 0 0 0 0 0 -6.230100 -2.473000 16.371700 1XA 0 -0.15000 -0.15000 DIFS C10 18
2 18 1 20 2 27 1 0 0 0 0 0 0 -7.595700 -2.279200 16.566200 1XA 0 -0.15000 -0.15000 DIFS C11 19
2 15 1 19 2 28 1 0 0 0 0 0 0 -8.476200 -3.364100 16.513100 1XA 0 -0.15000 -0.15000 DIFS C12 20
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.003900 -4.682100 11.361500 1XA 0 0.15000 0.15000 DIFS H3 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -12.273700 -3.803200 11.827600 1XA 0 0.15000 0.15000 DIFS H4 22
41 13 1 0 0 0 0 0 0 0 0 0 0 -13.202400 -3.930100 14.125000 1XA 0 0.15000 0.15000 DIFS H5 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -11.881700 -4.898700 15.958200 1XA 0 0.15000 0.15000 DIFS H6 24
41 17 1 0 0 0 0 0 0 0 0 0 0 -4.666200 -3.902500 16.016199 1XA 0 0.15000 0.15000 DIFS H9 25
41 18 1 0 0 0 0 0 0 0 0 0 0 -5.548100 -1.626100 16.412600 1XA 0 0.15000 0.15000 DIFS H10 26
41 19 1 0 0 0 0 0 0 0 0 0 0 -7.979000 -1.280300 16.766001 1XA 0 0.15000 0.15000 DIFS H11 27
41 20 1 0 0 0 0 0 0 0 0 0 0 -9.535900 -3.184100 16.689800 1XA 0 0.15000 0.15000 DIFS H12 28
10 [DIGCOL,10,10,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 4 2 0 0 0 0 0 0 0 0 0 0 -9.096500 -6.976500 16.098499 1XA 0 -0.75000 -0.75000 CHGB S1 1
51 4 1 0 0 0 0 0 0 0 0 0 0 -9.094100 -4.156100 17.117701 1XA 0 -0.75000 -0.75000 CHGB S2 2
25 4 1 5 1 6 1 0 0 0 0 0 0 -9.095500 -4.925100 14.556600 1XA 0 -0.66600 -0.66600 CHGB N1 3
2 1 2 2 1 3 1 0 0 0 0 0 0 -9.095300 -5.291300 15.844700 1XA 0 0.79600 0.79600 CHGB C1 4
43 3 1 0 0 0 0 0 0 0 0 0 0 -9.096200 -5.580100 13.776500 1XA 0 0.37000 0.37000 CHGB H1 5
25 3 1 7 1 8 1 0 0 0 0 0 0 -9.094600 -3.542400 14.153900 1XA 0 -0.66600 -0.66600 CHGB N1E 6
2 6 1 9 2 10 1 0 0 0 0 0 0 -9.094800 -3.176200 12.865800 1XA 0 0.79600 0.79600 CHGB C1E 7
43 6 1 0 0 0 0 0 0 0 0 0 0 -9.093900 -2.887400 14.934000 1XA 0 0.37000 0.37000 CHGB H1E 8
49 7 2 0 0 0 0 0 0 0 0 0 0 -9.093700 -1.491000 12.612000 1XA 0 -0.75000 -0.75000 CHGB S1E 9
51 7 1 0 0 0 0 0 0 0 0 0 0 -9.096100 -4.311400 11.592800 1XA 0 -0.75000 -0.75000 CHGB S2E 10
22 [DIGCUR,22,22,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 5 2 0 0 0 0 0 0 0 0 0 0 -10.115400 -4.145100 18.025000 1XA 0 -0.38000 -0.38000 UNCH S11 1
49 4 1 5 1 0 0 0 0 0 0 0 0 -12.183300 -3.254900 16.027500 1XA 0 -0.37100 -0.37100 UNCH S21 2
49 5 1 6 1 0 0 0 0 0 0 0 0 -10.417600 -5.508300 15.343100 1XA 0 -0.37100 -0.37100 UNCH S31 3
3 2 1 7 1 8 1 9 1 0 0 0 0 -13.563600 -4.209000 16.698799 1XA 0 0.23000 0.23000 UNCH C11 4
2 1 2 2 1 3 1 0 0 0 0 0 0 -10.860400 -4.295000 16.535900 1XA 0 0.66200 0.66200 UNCH C21 5
3 3 1 10 1 11 1 12 1 0 0 0 0 -8.806900 -4.862100 14.782700 1XA 0 0.23000 0.23000 UNCH C31 6
41 4 1 0 0 0 0 0 0 0 0 0 0 -14.502000 -3.705600 16.451300 1XA 0 0.00000 0.00000 UNCH H11 7
41 4 1 0 0 0 0 0 0 0 0 0 0 -13.488900 -4.285000 17.786800 1XA 0 0.00000 0.00000 UNCH H21 8
41 4 1 0 0 0 0 0 0 0 0 0 0 -13.585600 -5.213300 16.267401 1XA 0 0.00000 0.00000 UNCH H31 9
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.158500 -4.681500 15.646000 1XA 0 0.00000 0.00000 UNCH H41 10
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.350100 -5.666000 14.197400 1XA 0 0.00000 0.00000 UNCH H51 11
3 6 1 13 1 14 1 15 1 0 0 0 0 -8.961100 -3.605500 13.927600 1XA 0 0.23000 0.23000 UNCH C31A 12
49 12 1 16 1 0 0 0 0 0 0 0 0 -7.350400 -2.959300 13.367200 1XA 0 -0.37100 -0.37100 UNCH S31A 13
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.609500 -3.786100 13.064300 1XA 0 0.00000 0.00000 UNCH H41A 14
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.417900 -2.801600 14.513000 1XA 0 0.00000 0.00000 UNCH H51A 15
2 13 1 17 2 18 1 0 0 0 0 0 0 -6.907600 -4.172700 12.174500 1XA 0 0.66200 0.66200 UNCH C21A 16
49 16 2 0 0 0 0 0 0 0 0 0 0 -7.652600 -4.322500 10.685400 1XA 0 -0.38000 -0.38000 UNCH S11A 17
49 16 1 19 1 0 0 0 0 0 0 0 0 -5.584700 -5.212700 12.682900 1XA 0 -0.37100 -0.37100 UNCH S21A 18
3 18 1 20 1 21 1 22 1 0 0 0 0 -4.204400 -4.258600 12.011500 1XA 0 0.23000 0.23000 UNCH C11A 19
41 19 1 0 0 0 0 0 0 0 0 0 0 -3.266000 -4.762100 12.259000 1XA 0 0.00000 0.00000 UNCH H11A 20
41 19 1 0 0 0 0 0 0 0 0 0 0 -4.279100 -4.182700 10.923500 1XA 0 0.00000 0.00000 UNCH H21A 21
41 19 1 0 0 0 0 0 0 0 0 0 0 -4.182400 -3.254300 12.442900 1XA 0 0.00000 0.00000 UNCH H31A 22
40 [DIGLEK,40,40,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 10 2 0 0 0 0 0 0 0 0 0 0 -12.275300 -0.206400 12.183600 1XA 0 -0.57000 -0.57000 UNCH O1 1
16 10 1 12 1 0 0 0 0 0 0 0 0 -10.072000 0.300300 12.667200 1XA 0 -0.40790 -0.40790 UNCH O2 2
15 20 2 0 0 0 0 0 0 0 0 0 0 -10.158300 -3.404600 15.688500 1XA 0 -0.57000 -0.57000 UNCH O11 3
16 22 1 40 1 0 0 0 0 0 0 0 0 -9.144800 -5.774900 16.021099 1XA 0 -0.53250 -0.53250 UNCH O13 4
16 23 1 39 1 0 0 0 0 0 0 0 0 -9.271300 -8.365200 15.304800 1XA 0 -0.53250 -0.53250 UNCH O14 5
18 9 1 0 0 0 0 0 0 0 0 0 0 -5.575600 -6.705000 15.059600 1XA 0 -0.52000 -0.52000 UNCH O15 6
15 9 2 0 0 0 0 0 0 0 0 0 0 -5.180200 -5.343200 16.733400 1XA 0 -0.52000 -0.52000 UNCH O16 7
25 11 1 20 1 38 1 0 0 0 0 0 0 -10.833800 -2.782000 13.593000 1XA 0 -0.65500 -0.65500 UNCH N1 8
31 6 1 7 2 17 1 0 0 0 0 0 0 -5.633900 -5.594900 15.607400 1XA 0 0.90700 0.90700 UNCH N2 9
2 1 2 2 1 11 1 0 0 0 0 0 0 -11.243600 -0.370700 12.793000 1XA 0 0.66700 0.66700 UNCH C1 10
3 8 1 10 1 12 1 27 1 0 0 0 0 -10.704900 -1.329900 13.878400 1XA 0 0.27800 0.27800 UNCH C2 11
3 2 1 11 1 13 1 28 1 0 0 0 0 -9.359200 -0.638900 13.541000 1XA 0 0.25790 0.25790 UNCH C3 12
3 12 1 14 1 29 1 30 1 0 0 0 0 -8.252600 -1.316000 12.728600 1XA 0 0.14350 0.14350 UNCH C4 13
2 13 1 15 2 19 1 0 0 0 0 0 0 -7.560900 -2.421600 13.491800 1XA 0 -0.14350 -0.14350 UNCH C5 14
2 14 2 16 1 31 1 0 0 0 0 0 0 -6.986000 -2.191700 14.750800 1XA 0 -0.15000 -0.15000 UNCH C6 15
2 15 1 17 2 32 1 0 0 0 0 0 0 -6.353900 -3.226800 15.445700 1XA 0 -0.15000 -0.15000 UNCH C7 16
2 9 1 16 2 18 1 0 0 0 0 0 0 -6.277200 -4.500500 14.870600 1XA 0 0.13300 0.13300 UNCH C8 17
2 17 1 19 2 33 1 0 0 0 0 0 0 -6.814300 -4.738700 13.601100 1XA 0 -0.15000 -0.15000 UNCH C9 18
2 14 1 18 2 34 1 0 0 0 0 0 0 -7.448400 -3.698700 12.916500 1XA 0 -0.15000 -0.15000 UNCH C10 19
2 3 2 8 1 21 1 0 0 0 0 0 0 -10.553700 -3.716700 14.567000 1XA 0 0.54380 0.54380 UNCH C11 20
2 20 1 22 2 26 1 0 0 0 0 0 0 -10.674300 -5.154800 14.213700 1XA 0 0.08620 0.08620 UNCH C12 21
2 4 1 21 2 23 1 0 0 0 0 0 0 -9.944800 -6.098600 14.950900 1XA 0 0.08250 0.08250 UNCH C13 22
2 5 1 22 1 24 2 0 0 0 0 0 0 -10.000600 -7.447100 14.605400 1XA 0 0.08250 0.08250 UNCH C14 23
2 23 2 25 1 35 1 0 0 0 0 0 0 -10.793000 -7.884300 13.553900 1XA 0 -0.15000 -0.15000 UNCH C15 24
2 24 1 26 2 36 1 0 0 0 0 0 0 -11.548800 -6.958200 12.836200 1XA 0 -0.15000 -0.15000 UNCH C16 25
2 21 1 25 2 37 1 0 0 0 0 0 0 -11.493800 -5.597600 13.163100 1XA 0 -0.15000 -0.15000 UNCH C17 26
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.104000 -1.073500 14.867200 1XA 0 0.00000 0.00000 UNCH H2 27
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.952100 -0.088600 14.399700 1XA 0 0.00000 0.00000 UNCH H3 28
41 13 1 0 0 0 0 0 0 0 0 0 0 -7.496200 -0.575300 12.440600 1XA 0 0.00000 0.00000 UNCH H41 29
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.670200 -1.711600 11.794000 1XA 0 0.00000 0.00000 UNCH H42 30
41 15 1 0 0 0 0 0 0 0 0 0 0 -7.025400 -1.206100 15.210600 1XA 0 0.15000 0.15000 UNCH H6 31
41 16 1 0 0 0 0 0 0 0 0 0 0 -5.932100 -3.024700 16.428301 1XA 0 0.15000 0.15000 UNCH H7 32
41 18 1 0 0 0 0 0 0 0 0 0 0 -6.757400 -5.722900 13.139800 1XA 0 0.15000 0.15000 UNCH H9 33
41 19 1 0 0 0 0 0 0 0 0 0 0 -7.859600 -3.898800 11.928500 1XA 0 0.15000 0.15000 UNCH H10 34
41 24 1 0 0 0 0 0 0 0 0 0 0 -10.828800 -8.941300 13.304500 1XA 0 0.15000 0.15000 UNCH H15 35
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49 6 2 7 2 8 1 9 1 0 0 0 0 -9.732300 -3.152500 13.959600 1XA 0 1.33900 1.33900 DIHW S1 4
15 14 2 0 0 0 0 0 0 0 0 0 0 -8.643100 -6.693200 14.579700 1XA 0 -0.57000 -0.57000 DIHW O1 5
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57 9 1 0 0 0 0 0 0 0 0 0 0 -12.396500 -3.833700 14.389800 1XA 0 -0.29000 -0.29000 UNCH CL3 4
16 10 1 11 1 0 0 0 0 0 0 0 0 -9.439800 -3.968900 15.095000 1XA 0 -0.43000 -0.43000 UNCH O1 5
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3 1 1 3 1 18 1 19 1 0 0 0 0 -6.505400 -2.881800 13.222500 1XA 0 0.00000 0.00000 UNCH C2 2
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2 6 1 8 2 23 1 0 0 0 0 0 0 -12.345200 -3.300800 15.435900 1XA 0 -0.15000 -0.15000 UNCH C8 7
2 7 2 9 1 24 1 0 0 0 0 0 0 -12.468400 -1.968000 15.041100 1XA 0 -0.15000 -0.15000 UNCH C9 8
2 8 1 10 2 25 1 0 0 0 0 0 0 -11.664900 -1.460300 14.019100 1XA 0 -0.15000 -0.15000 UNCH C10 9
2 5 1 9 2 26 1 0 0 0 0 0 0 -10.728600 -2.282000 13.391600 1XA 0 -0.15000 -0.15000 UNCH C11 10
31 2 1 13 1 14 2 0 0 0 0 0 0 -6.624200 -2.872900 13.555900 1XA 0 0.96100 0.96100 UNCH N1 11
31 4 1 15 1 16 2 0 0 0 0 0 0 -5.941000 -6.573100 16.872400 1XA 0 0.96000 0.96000 UNCH N2 12
18 11 1 0 0 0 0 0 0 0 0 0 0 -7.523100 -2.026700 13.539800 1XA 0 -0.52000 -0.52000 UNCH O1 13
15 11 2 0 0 0 0 0 0 0 0 0 0 -5.492200 -2.764400 13.075200 1XA 0 -0.52000 -0.52000 UNCH O2 14
18 12 1 0 0 0 0 0 0 0 0 0 0 -4.818800 -6.218300 17.254499 1XA 0 -0.52000 -0.52000 UNCH O3 15
15 12 2 0 0 0 0 0 0 0 0 0 0 -6.577100 -7.541800 17.302299 1XA 0 -0.52000 -0.52000 UNCH O4 16
15 20 2 0 0 0 0 0 0 0 0 0 0 -10.008600 -5.991900 12.902200 1XA 0 -0.65000 -0.65000 UNCH O5 17
15 20 2 0 0 0 0 0 0 0 0 0 0 -8.863800 -4.006800 11.852200 1XA 0 -0.65000 -0.65000 UNCH O6 18
49 1 1 4 1 0 0 0 0 0 0 0 0 -8.074600 -6.148800 15.220400 1XA 0 -0.08000 -0.08000 UNCH S1 19
49 1 1 5 1 17 2 18 2 0 0 0 0 -9.421300 -4.671700 13.011800 1XA 0 1.37100 1.37100 UNCH S2 20
41 3 1 0 0 0 0 0 0 0 0 0 0 -5.035400 -4.218500 15.530500 1XA 0 0.15000 0.15000 UNCH H4 21
41 6 1 0 0 0 0 0 0 0 0 0 0 -11.339600 -5.172400 15.114500 1XA 0 0.15000 0.15000 UNCH H7 22
41 7 1 0 0 0 0 0 0 0 0 0 0 -12.986900 -3.694900 16.220800 1XA 0 0.15000 0.15000 UNCH H8 23
41 8 1 0 0 0 0 0 0 0 0 0 0 -13.201000 -1.324600 15.523700 1XA 0 0.15000 0.15000 UNCH H9 24
41 9 1 0 0 0 0 0 0 0 0 0 0 -11.772000 -0.423500 13.707700 1XA 0 0.15000 0.15000 UNCH H10 25
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.114000 -1.875600 12.590300 1XA 0 0.15000 0.15000 UNCH H11 26
29 [DIPDAH10,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 10 2 0 0 0 0 0 0 0 0 0 0 -12.677500 -4.744600 13.802900 1XA 0 -0.57000 -0.57000 UNCH O41 1
16 9 1 14 1 0 0 0 0 0 0 0 0 -8.995200 -1.997800 13.793700 1XA 0 -0.43000 -0.43000 UNCH O21 2
16 13 1 16 1 0 0 0 0 0 0 0 0 -6.569000 -4.277700 14.072700 1XA 0 -0.56000 -0.56000 UNCH O11 3
16 15 1 28 1 0 0 0 0 0 0 0 0 -5.464700 -1.333300 14.055300 1XA 0 -0.68000 -0.68000 UNCH O31 4
16 17 1 29 1 0 0 0 0 0 0 0 0 -8.458300 -3.495600 16.281500 1XA 0 -0.68000 -0.68000 UNCH O51 5
25 9 1 12 1 13 1 0 0 0 0 0 0 -8.799200 -4.173500 13.239300 1XA 0 -0.51910 -0.51910 UNCH N11 6
25 9 2 10 1 0 0 0 0 0 0 0 0 -10.917700 -3.271200 13.823500 1XA 0 -0.66100 -0.66100 UNCH N31 7
3 12 1 18 1 19 1 20 1 0 0 0 0 -8.362000 -6.550200 12.621700 1XA 0 0.13820 0.13820 UNCH C11 8
2 2 1 6 1 7 2 0 0 0 0 0 0 -9.650900 -3.180600 13.628900 1XA 0 0.65000 0.65000 UNCH C21 9
2 1 2 7 1 11 1 0 0 0 0 0 0 -11.482500 -4.514700 13.641900 1XA 0 0.76660 0.76660 UNCH C41 10
2 10 1 12 2 21 1 0 0 0 0 0 0 -10.602900 -5.650600 13.222200 1XA 0 -0.13560 -0.13560 UNCH C51 11
2 6 1 8 1 11 2 0 0 0 0 0 0 -9.288500 -5.446900 13.035300 1XA 0 -0.03820 -0.03820 UNCH C61 12
3 3 1 6 1 14 1 22 1 0 0 0 0 -7.456500 -3.681500 13.122200 1XA 0 0.64910 0.64910 UNCH C12 13
3 2 1 13 1 15 1 23 1 0 0 0 0 -7.619000 -2.201400 13.433700 1XA 0 0.28000 0.28000 UNCH C22 14
3 4 1 14 1 16 1 24 1 0 0 0 0 -6.657800 -1.949600 14.579600 1XA 0 0.28000 0.28000 UNCH C32 15
3 3 1 15 1 17 1 25 1 0 0 0 0 -6.307700 -3.332900 15.130400 1XA 0 0.28000 0.28000 UNCH C42 16
3 5 1 16 1 26 1 27 1 0 0 0 0 -7.066900 -3.732000 16.402000 1XA 0 0.28000 0.28000 UNCH C52 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.612900 -6.735500 13.398000 1XA 0 0.00000 0.00000 UNCH H11 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.898500 -7.489600 12.449900 1XA 0 0.00000 0.00000 UNCH H21 19
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41 11 1 0 0 0 0 0 0 0 0 0 0 -11.090700 -6.607200 13.092800 1XA 0 0.15000 0.15000 UNCH H51 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -7.047500 -3.841900 12.118800 1XA 0 0.00000 0.00000 UNCH H12 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.411200 -1.576200 12.558300 1XA 0 0.00000 0.00000 UNCH H22 23
41 15 1 0 0 0 0 0 0 0 0 0 0 -7.054900 -1.274800 15.343400 1XA 0 0.00000 0.00000 UNCH H32 24
41 16 1 0 0 0 0 0 0 0 0 0 0 -5.236500 -3.411500 15.350200 1XA 0 0.00000 0.00000 UNCH H42 25
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.700300 -3.149900 17.253401 1XA 0 0.00000 0.00000 UNCH H52 26
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.922400 -4.797600 16.607201 1XA 0 0.00000 0.00000 UNCH H520 27
42 4 1 0 0 0 0 0 0 0 0 0 0 -4.950700 -1.998400 13.563600 1XA 0 0.40000 0.40000 UNCH H322 28
42 5 1 0 0 0 0 0 0 0 0 0 0 -8.891000 -3.820700 17.090700 1XA 0 0.40000 0.40000 UNCH H522 29
21 [DIPDIP10,21,21,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 10 1 7 1 5 1 0 0 0 0 0 0 -8.511800 -4.759500 15.360300 1XA 0 -0.86670 -0.86670 DIPD N7 1
25 11 1 6 1 5 2 0 0 0 0 0 0 -10.163300 -3.650700 16.110100 1XA 0 -0.86670 -0.86670 DIPD N8 2
25 13 1 12 1 5 1 0 0 0 0 0 0 -9.268400 -5.300700 17.535000 1XA 0 -0.83670 -0.83670 DIPD N9 3
32 19 1 18 1 17 1 9 1 0 0 0 0 -9.497800 -4.402900 11.211300 1XA 0 -0.85300 -0.85300 DIPD N10 4
2 1 1 2 2 3 1 0 0 0 0 0 0 -9.311700 -4.611500 16.405899 1XA 0 1.07000 1.07000 DIPD C13 5
2 2 1 14 1 7 2 0 0 0 0 0 0 -9.867700 -3.106100 14.883200 1XA 0 0.20000 0.20000 DIPD C14 6
2 1 1 6 2 8 1 0 0 0 0 0 0 -8.810200 -3.824900 14.370000 1XA 0 0.18200 0.18200 DIPD C15 7
3 7 1 16 1 15 1 9 1 0 0 0 0 -8.025200 -3.676000 13.116000 1XA 0 0.16800 0.16800 DIPD C16 8
3 4 1 8 1 21 1 20 1 0 0 0 0 -8.320500 -4.743200 12.059100 1XA 0 0.50300 0.50300 DIPD C17 9
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.733500 -5.411800 15.359800 1XA 0 0.45000 0.45000 DIPD H5 10
43 2 1 0 0 0 0 0 0 0 0 0 0 -10.889000 -3.317800 16.739100 1XA 0 0.45000 0.45000 DIPD H6 11
43 3 1 0 0 0 0 0 0 0 0 0 0 -9.918000 -5.110300 18.289801 1XA 0 0.45000 0.45000 DIPD H7 12
43 3 1 0 0 0 0 0 0 0 0 0 0 -8.574200 -6.019200 17.699699 1XA 0 0.45000 0.45000 DIPD H8 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.446800 -2.260900 14.549800 1XA 0 0.15000 0.15000 DIPD H9 14
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.968400 -3.749100 13.400900 1XA 0 0.00000 0.00000 DIPD H10 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.178100 -2.669500 12.710100 1XA 0 0.00000 0.00000 DIPD H11 16
44 4 1 0 0 0 0 0 0 0 0 0 0 -9.610000 -5.110700 10.465900 1XA 0 0.45000 0.45000 DIPD H14 17
44 4 1 0 0 0 0 0 0 0 0 0 0 -9.389100 -3.505800 10.713000 1XA 0 0.45000 0.45000 DIPD H15 18
44 4 1 0 0 0 0 0 0 0 0 0 0 -10.394800 -4.386600 11.714800 1XA 0 0.45000 0.45000 DIPD H16 19
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.516200 -5.728200 12.494200 1XA 0 0.00000 0.00000 DIPD H17 20
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.479200 -4.821200 11.363300 1XA 0 0.00000 0.00000 DIPD H18 21
11 [DIRMIA,11,11,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 2 3 2 5 1 6 1 0 0 0 0 -8.474000 -3.840100 13.665800 1XA 0 1.33280 1.33280 UNCH S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -8.375600 -4.354200 12.318700 1XA 0 -0.65000 -0.65000 UNCH O1 2
15 1 2 0 0 0 0 0 0 0 0 0 0 -7.839400 -2.603000 14.071200 1XA 0 -0.65000 -0.65000 UNCH O2 3
16 5 1 11 1 0 0 0 0 0 0 0 0 -7.976500 -4.554500 16.065001 1XA 0 -0.31700 -0.31700 UNCH O3 4
25 1 1 4 1 7 1 0 0 0 0 0 0 -7.902500 -5.053700 14.713200 1XA 0 -0.64100 -0.64100 UNCH N1 5
3 1 1 8 1 9 1 10 1 0 0 0 0 -10.197000 -3.766500 14.112700 1XA 0 0.10520 0.10520 UNCH C1 6
43 5 1 0 0 0 0 0 0 0 0 0 0 -8.357700 -5.961700 14.585900 1XA 0 0.42000 0.42000 UNCH H1 7
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.678100 -3.028800 13.466500 1XA 0 0.00000 0.00000 UNCH H2 8
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.646200 -4.748100 13.951300 1XA 0 0.00000 0.00000 UNCH H3 9
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.287500 -3.457400 15.155200 1XA 0 0.00000 0.00000 UNCH H4 10
42 4 1 0 0 0 0 0 0 0 0 0 0 -7.388300 -3.766000 16.070999 1XA 0 0.40000 0.40000 UNCH H5 11
27 [DISHES,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 6 2 0 0 0 0 0 0 0 0 0 0 -6.790300 -7.805300 13.202900 1XA 0 -0.57000 -0.57000 DISH O1 1
25 3 2 11 1 0 0 0 0 0 0 0 0 -8.814800 -2.841700 13.682100 1XA 0 -0.69600 -0.69600 DISH N1 2
2 2 2 4 1 8 1 0 0 0 0 0 0 -8.387900 -4.053500 13.616500 1XA 0 0.42120 0.42120 DISH C1 3
2 3 1 5 2 15 1 0 0 0 0 0 0 -7.201100 -4.310800 12.766800 1XA 0 -0.13560 -0.13560 DISH C2 4
2 4 2 6 1 16 1 0 0 0 0 0 0 -6.677800 -5.529800 12.629300 1XA 0 -0.13560 -0.13560 DISH C3 5
2 1 2 5 1 7 1 0 0 0 0 0 0 -7.264700 -6.683400 13.324100 1XA 0 0.54120 0.54120 DISH C4 6
2 6 1 8 2 17 1 0 0 0 0 0 0 -8.445100 -6.442100 14.172300 1XA 0 -0.13560 -0.13560 DISH C5 7
2 3 1 7 2 9 1 0 0 0 0 0 0 -8.990400 -5.226500 14.327400 1XA 0 0.01440 0.01440 DISH C6 8
2 8 1 10 2 12 1 0 0 0 0 0 0 -10.153900 -4.951800 15.155500 1XA 0 -0.13820 -0.13820 DISH C7 9
2 9 2 11 1 18 1 0 0 0 0 0 0 -10.599700 -3.686600 15.224100 1XA 0 -0.28820 -0.28820 DISH C8 10
3 2 1 10 1 13 1 14 1 0 0 0 0 -9.985600 -2.511000 14.503900 1XA 0 0.38420 0.38420 DISH C9 11
3 9 1 22 1 23 1 24 1 0 0 0 0 -10.834500 -6.058100 15.911600 1XA 0 0.13820 0.13820 DISH C10 12
3 11 1 19 1 20 1 21 1 0 0 0 0 -9.529400 -1.468200 15.533000 1XA 0 0.00000 0.00000 DISH C11 13
3 11 1 25 1 26 1 27 1 0 0 0 0 -11.029200 -1.890000 13.565800 1XA 0 0.00000 0.00000 DISH C12 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -6.776400 -3.451900 12.258900 1XA 0 0.15000 0.15000 DISH H2 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -5.810900 -5.721200 12.009400 1XA 0 0.15000 0.15000 DISH H3 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.831400 -7.330300 14.657200 1XA 0 0.15000 0.15000 DISH H5 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.469500 -3.460600 15.838800 1XA 0 0.15000 0.15000 DISH H8 18
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.761800 -1.879600 16.199600 1XA 0 0.00000 0.00000 DISH H111 19
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.092000 -0.591800 15.040200 1XA 0 0.00000 0.00000 DISH H211 20
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.363200 -1.121000 16.154200 1XA 0 0.00000 0.00000 DISH H311 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.208800 -6.824700 15.224700 1XA 0 0.00000 0.00000 DISH H110 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.143700 -6.525200 16.621700 1XA 0 0.00000 0.00000 DISH H210 23
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.692300 -5.693000 16.487301 1XA 0 0.00000 0.00000 DISH H310 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.618600 -1.021200 13.037900 1XA 0 0.00000 0.00000 DISH H112 25
41 14 1 0 0 0 0 0 0 0 0 0 0 -11.919200 -1.558700 14.113300 1XA 0 0.00000 0.00000 DISH H212 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -11.351900 -2.608100 12.802200 1XA 0 0.00000 0.00000 DISH H312 27
15 [DISJOE,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 7 1 0 0 0 0 0 0 0 0 0 0 -10.850700 -4.550800 12.749700 1XA 0 -0.14000 -0.14000 DISJ CL1 1
15 6 2 0 0 0 0 0 0 0 0 0 0 -11.894000 -3.143700 15.597600 1XA 0 -0.52000 -0.52000 DISJ O1 2
18 6 1 0 0 0 0 0 0 0 0 0 0 -11.761500 -5.325300 15.872100 1XA 0 -0.52000 -0.52000 DISJ O2 3
18 8 1 0 0 0 0 0 0 0 0 0 0 -8.594500 -4.010400 15.955900 1XA 0 -0.85000 -0.85000 DISJ O3 4
16 8 1 9 1 0 0 0 0 0 0 0 0 -8.143000 -4.273600 13.646600 1XA 0 -0.35670 -0.35670 DISJ O4 5
31 2 2 3 1 7 1 0 0 0 0 0 0 -11.355900 -4.248700 15.394300 1XA 0 0.83560 0.83560 DISJ N1 6
2 1 1 6 1 8 2 0 0 0 0 0 0 -10.313400 -4.312900 14.380900 1XA 0 0.34440 0.34440 DISJ C1 7
2 4 1 5 1 7 2 0 0 0 0 0 0 -9.015400 -4.185100 14.770500 1XA 0 -0.07330 -0.07330 DISJ C2 8
3 5 1 10 1 11 1 14 1 0 0 0 0 -6.749600 -4.151400 13.945500 1XA 0 0.28000 0.28000 DISJ C3 9
3 9 1 12 1 13 1 15 1 0 0 0 0 -5.984300 -4.269300 12.639200 1XA 0 0.00000 0.00000 DISJ C4 10
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.538100 -3.174000 14.395000 1XA 0 0.00000 0.00000 DISJ H3 11
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.296000 -3.488000 11.938000 1XA 0 0.00000 0.00000 DISJ H4 12
41 10 1 0 0 0 0 0 0 0 0 0 0 -4.907400 -4.182600 12.808900 1XA 0 0.00000 0.00000 DISJ H5 13
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.430000 -4.955200 14.619100 1XA 0 0.00000 0.00000 DISJ H3F 14
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.190300 -5.230800 12.157300 1XA 0 0.00000 0.00000 DISJ H4F 15
14 [DITRAZ,14,14,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 6 1 2 1 0 0 0 0 0 0 0 0 -9.317800 -3.278600 13.004900 1XA 0 -0.36100 -0.36100 DITR S1 1
2 1 1 4 1 3 2 0 0 0 0 0 0 -9.722300 -3.792600 14.610300 1XA 0 0.83980 0.83980 DITR C1 2
31 2 2 8 1 7 1 0 0 0 0 0 0 -10.497600 -2.976300 15.286100 1XA 0 -0.75440 -0.75440 DITR N1 3
25 2 1 9 1 5 1 0 0 0 0 0 0 -9.311000 -4.948200 15.134700 1XA 0 -0.52740 -0.52740 DITR N2 4
26 4 1 11 1 10 1 0 0 0 0 0 0 -8.487600 -5.794700 14.397400 1XA 0 -0.49700 -0.49700 DITR N3 5
3 1 1 14 1 13 1 12 1 0 0 0 0 -7.702200 -2.529400 13.323700 1XA 0 0.23000 0.23000 DITR C2 6
44 3 1 0 0 0 0 0 0 0 0 0 0 -10.816300 -3.162300 16.225201 1XA 0 0.45000 0.45000 DITR H1 7
44 3 1 0 0 0 0 0 0 0 0 0 0 -10.800900 -2.125500 14.825600 1XA 0 0.45000 0.45000 DITR H2 8
43 4 1 0 0 0 0 0 0 0 0 0 0 -9.585000 -5.171200 16.090500 1XA 0 0.45000 0.45000 DITR H33 9
43 5 1 0 0 0 0 0 0 0 0 0 0 -8.643100 -5.700900 13.387800 1XA 0 0.36000 0.36000 DITR H4 10
43 5 1 0 0 0 0 0 0 0 0 0 0 -8.593000 -6.772000 14.682500 1XA 0 0.36000 0.36000 DITR H5 11
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.002700 -3.274200 13.711600 1XA 0 0.00000 0.00000 DITR H6 12
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.800000 -1.716400 14.048100 1XA 0 0.00000 0.00000 DITR H7 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.300500 -2.123100 12.391900 1XA 0 0.00000 0.00000 DITR H8 14
27 [DITYAG10,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 6 1 0 0 0 0 0 0 0 0 0 0 -14.393200 -3.913900 14.608700 1XA 0 -0.17700 -0.17700 UNCH CL1 1
15 9 2 0 0 0 0 0 0 0 0 0 0 -8.124300 -5.574700 13.033000 1XA 0 -0.57000 -0.57000 UNCH O1 2
2 4 2 8 1 9 1 0 0 0 0 0 0 -9.949700 -4.381000 13.917400 1XA 0 0.08620 0.08620 UNCH C1 3
2 3 2 5 1 15 1 0 0 0 0 0 0 -10.446000 -3.259100 14.594400 1XA 0 -0.15000 -0.15000 UNCH C2 4
2 4 1 6 2 16 1 0 0 0 0 0 0 -11.822400 -3.117800 14.806700 1XA 0 -0.15000 -0.15000 UNCH C3 5
2 1 1 5 2 7 1 0 0 0 0 0 0 -12.703600 -4.093900 14.344200 1XA 0 0.17700 0.17700 UNCH C4 6
2 6 1 8 2 17 1 0 0 0 0 0 0 -12.222500 -5.212700 13.669500 1XA 0 -0.15000 -0.15000 UNCH C5 7
2 3 1 7 2 18 1 0 0 0 0 0 0 -10.848400 -5.355500 13.456500 1XA 0 -0.15000 -0.15000 UNCH C6 8
2 2 2 3 1 10 1 0 0 0 0 0 0 -8.489500 -4.583800 13.662400 1XA 0 0.42280 0.42280 UNCH C7 9
3 9 1 11 1 19 1 20 1 0 0 0 0 -7.505000 -3.555200 14.188800 1XA 0 0.06100 0.06100 UNCH C8 10
3 10 1 12 1 14 1 21 1 0 0 0 0 -6.047200 -3.891700 13.893400 1XA 0 0.00000 0.00000 UNCH C9 11
3 11 1 13 1 22 1 23 1 0 0 0 0 -5.408200 -5.056900 14.697400 1XA 0 0.00000 0.00000 UNCH C10 12
3 12 1 14 1 24 1 25 1 0 0 0 0 -4.109400 -4.226100 14.728300 1XA 0 0.00000 0.00000 UNCH C11 13
3 11 1 13 1 26 1 27 1 0 0 0 0 -4.992000 -2.972100 14.564500 1XA 0 0.00000 0.00000 UNCH C12 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.788600 -2.478800 14.966300 1XA 0 0.15000 0.15000 UNCH H2 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -12.199900 -2.244300 15.332800 1XA 0 0.15000 0.15000 UNCH H3 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -12.905700 -5.976300 13.306500 1XA 0 0.15000 0.15000 UNCH H5 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.481600 -6.234100 12.927300 1XA 0 0.15000 0.15000 UNCH H6 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.741200 -2.592100 13.721600 1XA 0 0.00000 0.00000 UNCH H81 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.648500 -3.465500 15.271900 1XA 0 0.00000 0.00000 UNCH H82 20
41 11 1 0 0 0 0 0 0 0 0 0 0 -5.869400 -3.984800 12.811700 1XA 0 0.00000 0.00000 UNCH H9 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -5.847500 -5.220700 15.688500 1XA 0 0.00000 0.00000 UNCH H101 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -5.342600 -6.014800 14.175100 1XA 0 0.00000 0.00000 UNCH H102 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -3.529400 -4.283100 15.652600 1XA 0 0.00000 0.00000 UNCH H111 24
41 13 1 0 0 0 0 0 0 0 0 0 0 -3.445800 -4.413000 13.876300 1XA 0 0.00000 0.00000 UNCH H112 25
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.309100 -2.533300 15.517900 1XA 0 0.00000 0.00000 UNCH H121 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -4.579000 -2.183000 13.930900 1XA 0 0.00000 0.00000 UNCH H122 27
20 [DIVJUN,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 10 1 7 2 2 1 0 0 0 0 0 0 -7.914100 -4.474000 14.970400 1XA 0 0.60100 0.60100 DIVJ C2 1
2 1 1 8 1 6 2 0 0 0 0 0 0 -9.047000 -4.122400 14.079900 1XA 0 0.69880 0.69880 DIVJ C3 2
3 15 1 14 1 6 1 4 1 0 0 0 0 -7.736900 -4.679600 12.025400 1XA 0 0.48950 0.48950 DIVJ C5 3
3 3 1 17 1 16 1 10 1 0 0 0 0 -6.453500 -4.225500 12.700200 1XA 0 0.23000 0.23000 DIVJ C6 4
3 20 1 19 1 18 1 8 1 0 0 0 0 -11.407400 -3.316900 14.091300 1XA 0 0.48950 0.48950 DIVJ C10 5
31 2 2 3 1 11 1 0 0 0 0 0 0 -8.934500 -4.209500 12.758700 1XA 0 -0.79390 -0.79390 DIVJ N4 6
25 1 2 9 1 0 0 0 0 0 0 0 0 -8.181200 -4.397800 16.249399 1XA 0 -0.51300 -0.51300 DIVJ N7 7
25 2 1 5 1 13 1 0 0 0 0 0 0 -10.148600 -3.722500 14.703000 1XA 0 -0.79390 -0.79390 DIVJ N9 8
16 7 1 12 1 0 0 0 0 0 0 0 0 -7.083800 -4.735000 17.054199 1XA 0 -0.33700 -0.33700 DIVJ O8 9
49 1 1 4 1 0 0 0 0 0 0 0 0 -6.328100 -4.960900 14.347500 1XA 0 -0.37100 -0.37100 DIVJ S1 10
44 6 1 0 0 0 0 0 0 0 0 0 0 -9.743500 -3.966500 12.201700 1XA 0 0.45000 0.45000 DIVJ H4 11
42 9 1 0 0 0 0 0 0 0 0 0 0 -7.422100 -4.654500 17.967300 1XA 0 0.40000 0.40000 DIVJ H8 12
43 8 1 0 0 0 0 0 0 0 0 0 0 -10.065100 -3.722800 15.724700 1XA 0 0.45000 0.45000 DIVJ H9 13
41 3 1 0 0 0 0 0 0 0 0 0 0 -7.795400 -5.769900 11.934000 1XA 0 0.00000 0.00000 DIVJ H31 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -7.788600 -4.257700 11.016100 1XA 0 0.00000 0.00000 DIVJ H52 15
41 4 1 0 0 0 0 0 0 0 0 0 0 -6.431500 -3.134900 12.795600 1XA 0 0.00000 0.00000 DIVJ H61 16
41 4 1 0 0 0 0 0 0 0 0 0 0 -5.585200 -4.533500 12.110300 1XA 0 0.00000 0.00000 DIVJ H62 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -11.822000 -4.150900 13.519300 1XA 0 0.00000 0.00000 DIVJ H101 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -11.236900 -2.458600 13.436300 1XA 0 0.00000 0.00000 DIVJ H102 19
41 5 1 0 0 0 0 0 0 0 0 0 0 -12.110400 -3.035000 14.879200 1XA 0 0.00000 0.00000 DIVJ H103 20
25 [DIVTUX,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 25 1 9 1 0 0 0 0 0 0 0 0 -10.997500 -3.812000 15.658700 1XA 0 -0.68000 -0.68000 UNCH O1 1
16 13 1 3 1 0 0 0 0 0 0 0 0 -6.892500 -4.483900 14.850200 1XA 0 -0.34040 -0.34040 UNCH O2 2
2 2 1 8 1 4 2 0 0 0 0 0 0 -7.889200 -5.252800 14.303900 1XA 0 0.08250 0.08250 UNCH C1 3
2 3 2 14 1 5 1 0 0 0 0 0 0 -7.487700 -6.171500 13.332800 1XA 0 -0.15000 -0.15000 UNCH C2 4
2 4 1 15 1 6 2 0 0 0 0 0 0 -8.427500 -7.002400 12.726100 1XA 0 -0.15000 -0.15000 UNCH C3 5
2 5 2 16 1 7 1 0 0 0 0 0 0 -9.766600 -6.919700 13.098800 1XA 0 -0.15000 -0.15000 UNCH C4 6
2 6 1 17 1 8 2 0 0 0 0 0 0 -10.163800 -6.008000 14.079500 1XA 0 -0.15000 -0.15000 UNCH C5 7
2 3 1 7 2 9 1 0 0 0 0 0 0 -9.230300 -5.155200 14.690400 1XA 0 -0.14350 -0.14350 UNCH C6 8
3 1 1 8 1 18 1 10 1 0 0 0 0 -9.636700 -4.217400 15.795100 1XA 0 0.42350 0.42350 UNCH C7 9
3 9 1 19 1 13 1 11 1 0 0 0 0 -8.763300 -2.979800 15.794000 1XA 0 0.00000 0.00000 UNCH C8 10
3 10 1 21 1 20 1 12 1 0 0 0 0 -8.734700 -2.049000 14.552300 1XA 0 0.00000 0.00000 UNCH C9 11
3 11 1 23 1 22 1 13 1 0 0 0 0 -7.207100 -1.972400 14.715000 1XA 0 0.00000 0.00000 UNCH C10 12
3 2 1 10 1 12 1 24 1 0 0 0 0 -7.269700 -3.275800 15.547600 1XA 0 0.25790 0.25790 UNCH C11 13
41 4 1 0 0 0 0 0 0 0 0 0 0 -6.441300 -6.235500 13.048000 1XA 0 0.15000 0.15000 UNCH H2 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.115100 -7.713600 11.966500 1XA 0 0.15000 0.15000 UNCH H3 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.503700 -7.567200 12.631300 1XA 0 0.15000 0.15000 UNCH H4 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.212300 -5.962200 14.367600 1XA 0 0.15000 0.15000 UNCH H5 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.540300 -4.754200 16.746599 1XA 0 0.00000 0.00000 UNCH H7 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.916400 -2.403200 16.718901 1XA 0 0.00000 0.00000 UNCH H8 19
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.264700 -1.099400 14.667800 1XA 0 0.00000 0.00000 UNCH H91 20
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.051900 -2.512100 13.611600 1XA 0 0.00000 0.00000 UNCH H92 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.863700 -1.103600 15.288000 1XA 0 0.00000 0.00000 UNCH H101 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.638600 -2.027400 13.782500 1XA 0 0.00000 0.00000 UNCH H102 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.671500 -3.207000 16.464500 1XA 0 0.00000 0.00000 UNCH H11 24
42 1 1 0 0 0 0 0 0 0 0 0 0 -11.218900 -3.284400 16.443701 1XA 0 0.40000 0.40000 UNCH H1 25
14 [DIVVEJ,14,14,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 2 2 0 0 0 0 0 0 0 0 0 0 -9.313600 -4.791500 12.289100 1XA 0 -0.57000 -0.57000 DIVV O1 1
2 1 2 4 1 5 1 0 0 0 0 0 0 -9.810300 -4.779900 13.400500 1XA 0 0.97300 0.97300 DIVV C1 2
2 5 1 6 1 7 2 0 0 0 0 0 0 -7.889500 -3.773100 14.495000 1XA 0 1.20000 1.20000 DIVV C2 3
25 2 1 8 1 9 1 0 0 0 0 0 0 -11.041300 -5.230200 13.698800 1XA 0 -0.80000 -0.80000 DIVV N1 4
25 2 1 3 1 10 1 0 0 0 0 0 0 -9.127500 -4.281400 14.510800 1XA 0 -0.85970 -0.85970 DIVV N2 5
25 3 1 11 1 12 1 0 0 0 0 0 0 -7.342300 -3.325100 15.633000 1XA 0 -0.96670 -0.96670 DIVV N3 6
31 3 2 13 1 14 1 0 0 0 0 0 0 -7.171800 -3.695200 13.374200 1XA 0 -0.96670 -0.96670 DIVV N4 7
43 4 1 0 0 0 0 0 0 0 0 0 0 -11.590300 -5.606300 12.933100 1XA 0 0.37000 0.37000 DIVV H1 8
43 4 1 0 0 0 0 0 0 0 0 0 0 -11.473800 -5.231400 14.609300 1XA 0 0.37000 0.37000 DIVV H2 9
43 5 1 0 0 0 0 0 0 0 0 0 0 -9.610700 -4.309500 15.390200 1XA 0 0.45000 0.45000 DIVV H3 10
43 6 1 0 0 0 0 0 0 0 0 0 0 -7.828900 -3.353300 16.519199 1XA 0 0.45000 0.45000 DIVV H4 11
43 6 1 0 0 0 0 0 0 0 0 0 0 -6.406500 -2.937300 15.639400 1XA 0 0.45000 0.45000 DIVV H5 12
44 7 1 0 0 0 0 0 0 0 0 0 0 -7.586000 -4.036300 12.502600 1XA 0 0.45000 0.45000 DIVV H7 13
44 7 1 0 0 0 0 0 0 0 0 0 0 -6.236700 -3.317200 13.331500 1XA 0 0.45000 0.45000 DIVV H8 14
34 [DIVWEK,34,34,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 2 1 5 1 0 0 0 0 0 0 0 0 0.209600 9.970800 -1.803200 1XA 0 -0.15340 -0.15340 UNCH O1 1
2 1 1 3 1 6 2 0 0 0 0 0 0 -0.378100 9.343500 -0.736900 1XA 0 0.09110 0.09110 UNCH C2 2
2 2 1 4 1 13 2 0 0 0 0 0 0 -1.662200 10.011700 -0.442000 1XA 0 0.54120 0.54120 UNCH C3 3
2 3 1 5 2 14 1 0 0 0 0 0 0 -1.795100 11.092500 -1.456700 1XA 0 -0.01400 -0.01400 UNCH C4 4
2 1 1 4 2 20 1 0 0 0 0 0 0 -0.664900 10.998100 -2.182500 1XA 0 0.09110 0.09110 UNCH C5 5
2 2 2 7 1 28 1 0 0 0 0 0 0 0.107200 8.310300 -0.036400 1XA 0 -0.17840 -0.17840 UNCH C20 6
2 6 1 8 1 12 2 0 0 0 0 0 0 1.386300 7.630500 -0.280000 1XA 0 0.02840 0.02840 UNCH C21 7
2 7 1 9 2 29 1 0 0 0 0 0 0 2.127300 7.179800 0.821100 1XA 0 -0.15000 -0.15000 UNCH C22 8
2 8 2 10 1 24 1 0 0 0 0 0 0 3.335100 6.501400 0.638700 1XA 0 -0.15000 -0.15000 UNCH C23 9
2 9 1 11 2 32 1 0 0 0 0 0 0 3.809400 6.255900 -0.647500 1XA 0 -0.15000 -0.15000 UNCH C24 10
2 10 2 12 1 25 1 0 0 0 0 0 0 3.074100 6.683300 -1.750700 1XA 0 -0.15000 -0.15000 UNCH C25 11
2 7 2 11 1 27 1 0 0 0 0 0 0 1.865900 7.361800 -1.568400 1XA 0 -0.15000 -0.15000 UNCH C26 12
15 3 2 0 0 0 0 0 0 0 0 0 0 -2.440700 9.733600 0.449200 1XA 0 -0.57000 -0.57000 UNCH O30 13
2 4 1 15 2 19 1 0 0 0 0 0 0 -2.934400 12.006600 -1.532800 1XA 0 0.02840 0.02840 UNCH C41 14
2 14 2 16 1 26 1 0 0 0 0 0 0 -3.386800 12.662400 -0.378900 1XA 0 -0.15000 -0.15000 UNCH C42 15
2 15 1 17 2 34 1 0 0 0 0 0 0 -4.487900 13.520900 -0.430100 1XA 0 -0.15000 -0.15000 UNCH C43 16
2 16 2 18 1 31 1 0 0 0 0 0 0 -5.154400 13.729200 -1.634700 1XA 0 -0.15000 -0.15000 UNCH C44 17
2 17 1 19 2 33 1 0 0 0 0 0 0 -4.724300 13.075100 -2.786500 1XA 0 -0.15000 -0.15000 UNCH C45 18
2 14 1 18 2 30 1 0 0 0 0 0 0 -3.624300 12.214500 -2.734900 1XA 0 -0.15000 -0.15000 UNCH C46 19
2 5 1 21 2 22 1 0 0 0 0 0 0 -0.269100 11.885700 -3.294000 1XA 0 0.70560 0.70560 UNCH C50 20
15 20 2 0 0 0 0 0 0 0 0 0 0 -0.831400 12.889800 -3.686100 1XA 0 -0.57000 -0.57000 UNCH O51 21
16 20 1 23 1 0 0 0 0 0 0 0 0 0.860400 11.455800 -3.886900 1XA 0 -0.65000 -0.65000 UNCH O52 22
42 22 1 0 0 0 0 0 0 0 0 0 0 1.031700 12.120700 -4.585900 1XA 0 0.50000 0.50000 UNCH H52 23
41 9 1 0 0 0 0 0 0 0 0 0 0 3.903500 6.164100 1.501600 1XA 0 0.15000 0.15000 UNCH H23 24
41 11 1 0 0 0 0 0 0 0 0 0 0 3.437500 6.485400 -2.755900 1XA 0 0.15000 0.15000 UNCH H25 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -2.890700 12.507500 0.577600 1XA 0 0.15000 0.15000 UNCH H42 26
41 12 1 0 0 0 0 0 0 0 0 0 0 1.305000 7.668200 -2.447900 1XA 0 0.15000 0.15000 UNCH H26 27
41 6 1 0 0 0 0 0 0 0 0 0 0 -0.467400 7.937100 0.810100 1XA 0 0.15000 0.15000 UNCH H20 28
41 8 1 0 0 0 0 0 0 0 0 0 0 1.774900 7.359300 1.834700 1XA 0 0.15000 0.15000 UNCH H22 29
41 19 1 0 0 0 0 0 0 0 0 0 0 -3.315400 11.713100 -3.649200 1XA 0 0.15000 0.15000 UNCH H46 30
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.010700 14.397300 -1.675100 1XA 0 0.15000 0.15000 UNCH H44 31
41 10 1 0 0 0 0 0 0 0 0 0 0 4.748400 5.727600 -0.790400 1XA 0 0.15000 0.15000 UNCH H24 32
41 18 1 0 0 0 0 0 0 0 0 0 0 -5.244100 13.233700 -3.727800 1XA 0 0.15000 0.15000 UNCH H45 33
41 16 1 0 0 0 0 0 0 0 0 0 0 -4.826300 14.022300 0.473000 1XA 0 0.15000 0.15000 UNCH H43 34
16 [DIWCOB,16,16,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 6 1 4 1 2 2 0 0 0 0 0 0 -9.226300 -4.699700 14.908200 1XA 0 1.20000 1.20000 DIWC C1 1
31 1 2 8 1 3 1 0 0 0 0 0 0 -8.220000 -4.777600 15.845600 1XA 0 -0.70170 -0.70170 DIWC N1 2
26 2 1 10 1 9 1 0 0 0 0 0 0 -7.018800 -5.424100 15.533000 1XA 0 -0.53500 -0.53500 DIWC N2 3
25 1 1 11 1 5 1 0 0 0 0 0 0 -9.066600 -5.293200 13.675600 1XA 0 -0.70170 -0.70170 DIWC N3 4
26 4 1 13 1 12 1 0 0 0 0 0 0 -10.079700 -5.198000 12.714700 1XA 0 -0.53500 -0.53500 DIWC N4 5
25 1 1 14 1 7 1 0 0 0 0 0 0 -10.400200 -4.045800 15.210800 1XA 0 -0.70170 -0.70170 DIWC N5 6
26 6 1 16 1 15 1 0 0 0 0 0 0 -10.556600 -3.425000 16.455299 1XA 0 -0.53500 -0.53500 DIWC N6 7
44 2 1 0 0 0 0 0 0 0 0 0 0 -8.435500 -4.579600 16.822201 1XA 0 0.45000 0.45000 DIWC H2 8
43 3 1 0 0 0 0 0 0 0 0 0 0 -6.559900 -4.942400 14.751200 1XA 0 0.36000 0.36000 DIWC H3 9
43 3 1 0 0 0 0 0 0 0 0 0 0 -6.379600 -5.369300 16.335100 1XA 0 0.36000 0.36000 DIWC H4 10
43 4 1 0 0 0 0 0 0 0 0 0 0 -8.330500 -5.987600 13.550900 1XA 0 0.45000 0.45000 DIWC H5 11
43 5 1 0 0 0 0 0 0 0 0 0 0 -9.784900 -5.676800 11.855200 1XA 0 0.36000 0.36000 DIWC H6 12
43 5 1 0 0 0 0 0 0 0 0 0 0 -10.233600 -4.212800 12.470700 1XA 0 0.36000 0.36000 DIWC H7 13
43 6 1 0 0 0 0 0 0 0 0 0 0 -11.224700 -4.214900 14.635500 1XA 0 0.45000 0.45000 DIWC H8 14
43 7 1 0 0 0 0 0 0 0 0 0 0 -11.477400 -2.972300 16.500799 1XA 0 0.36000 0.36000 DIWC H9 15
43 7 1 0 0 0 0 0 0 0 0 0 0 -9.853600 -2.684700 16.563400 1XA 0 0.36000 0.36000 DIWC H10 16
22 [DIXJEZ,22,22,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 6 2 2 1 0 0 0 0 0 0 0 0 -8.469600 -2.709700 13.128100 1XA 0 -0.62000 -0.62000 DIXJ N1 1
2 1 1 13 1 3 2 0 0 0 0 0 0 -7.844300 -3.383800 12.146700 1XA 0 0.52100 0.52100 DIXJ C2 2
25 2 2 14 1 4 1 0 0 0 0 0 0 -7.522800 -4.673200 12.181300 1XA 0 -0.12600 -0.12600 DIXJ N3 3
2 3 1 10 1 5 2 0 0 0 0 0 0 -7.866200 -5.325700 13.313200 1XA 0 0.15640 0.15640 DIXJ C4 4
2 4 2 8 1 6 1 0 0 0 0 0 0 -8.514800 -4.728800 14.382300 1XA 0 0.22720 0.22720 DIXJ C5 5
2 1 2 5 1 7 1 0 0 0 0 0 0 -8.844600 -3.344400 14.289600 1XA 0 0.41000 0.41000 DIXJ C6 6
25 6 1 12 1 11 1 0 0 0 0 0 0 -9.536000 -2.613500 15.251100 1XA 0 -0.83820 -0.83820 DIXJ N6 7
25 5 1 9 2 0 0 0 0 0 0 0 0 -8.708300 -5.674900 15.368000 1XA 0 -0.56530 -0.56530 DIXJ N7 8
2 8 2 15 1 10 1 0 0 0 0 0 0 -8.203800 -6.797700 14.908600 1XA 0 0.03650 0.03650 DIXJ C8 9
25 4 1 9 1 16 1 0 0 0 0 0 0 -7.676900 -6.636300 13.655300 1XA 0 0.03320 0.03320 DIXJ N9 10
3 7 1 19 1 18 1 17 1 0 0 0 0 -9.431300 -1.160900 15.163000 1XA 0 0.36910 0.36910 DIXJ C10 11
3 7 1 22 1 21 1 20 1 0 0 0 0 -9.672200 -3.178100 16.590401 1XA 0 0.36910 0.36910 DIXJ C11 12
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.582200 -2.827000 11.251800 1XA 0 0.15000 0.15000 DIXJ H2 13
43 3 1 0 0 0 0 0 0 0 0 0 0 -7.051900 -5.119100 11.399800 1XA 0 0.45700 0.45700 DIXJ H3 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.191900 -7.747600 15.432300 1XA 0 0.15000 0.15000 DIXJ H8 15
43 10 1 0 0 0 0 0 0 0 0 0 0 -7.239300 -7.372000 13.115800 1XA 0 0.27000 0.27000 DIXJ H9 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.404200 -0.830300 15.354300 1XA 0 0.00000 0.00000 DIXJ H101 17
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.083200 -0.679000 15.900100 1XA 0 0.00000 0.00000 DIXJ H102 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.751000 -0.792600 14.181700 1XA 0 0.00000 0.00000 DIXJ H103 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.693200 -3.373000 17.041700 1XA 0 0.00000 0.00000 DIXJ H111 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.264500 -4.098600 16.572599 1XA 0 0.00000 0.00000 DIXJ H112 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.208100 -2.486900 17.250999 1XA 0 0.00000 0.00000 DIXJ H113 22
21 [DIYDIY,21,21,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 1 6 2 7 1 0 0 0 0 0 0 1.919900 3.516600 -0.395300 1XA 0 0.08250 0.08250 UNCH C1 1
2 1 1 3 2 12 1 0 0 0 0 0 0 2.606200 4.742300 -0.379700 1XA 0 0.08620 0.08620 UNCH C2 2
2 2 2 4 1 14 1 0 0 0 0 0 0 2.503100 5.633200 -1.457000 1XA 0 -0.15000 -0.15000 UNCH C3 3
2 3 1 5 2 15 1 0 0 0 0 0 0 1.714500 5.307700 -2.557800 1XA 0 -0.15000 -0.15000 UNCH C4 4
2 4 2 6 1 16 1 0 0 0 0 0 0 1.030500 4.095100 -2.582500 1XA 0 -0.15000 -0.15000 UNCH C5 5
2 1 2 5 1 17 1 0 0 0 0 0 0 1.131200 3.203300 -1.508600 1XA 0 -0.15000 -0.15000 UNCH C6 6
16 1 1 8 1 0 0 0 0 0 0 0 0 2.076200 2.706800 0.697000 1XA 0 -0.36250 -0.36250 UNCH O7 7
3 7 1 9 1 18 1 19 1 0 0 0 0 1.391100 1.458700 0.705800 1XA 0 0.34100 0.34100 UNCH C8 8
2 8 1 10 2 11 1 0 0 0 0 0 0 1.693500 0.717200 1.994200 1XA 0 0.65900 0.65900 UNCH C9 9
15 9 2 0 0 0 0 0 0 0 0 0 0 2.403500 1.077800 2.917900 1XA 0 -0.57000 -0.57000 UNCH O10 10
16 9 1 21 1 0 0 0 0 0 0 0 0 1.064300 -0.477600 2.050900 1XA 0 -0.65000 -0.65000 UNCH O11 11
2 2 1 13 2 20 1 0 0 0 0 0 0 3.453100 5.120100 0.774300 1XA 0 0.42380 0.42380 UNCH C21 12
15 12 2 0 0 0 0 0 0 0 0 0 0 4.060900 6.185200 0.808700 1XA 0 -0.57000 -0.57000 UNCH O21 13
41 3 1 0 0 0 0 0 0 0 0 0 0 3.037700 6.581200 -1.437900 1XA 0 0.15000 0.15000 UNCH H3 14
41 4 1 0 0 0 0 0 0 0 0 0 0 1.634900 5.999200 -3.393200 1XA 0 0.15000 0.15000 UNCH H4 15
41 5 1 0 0 0 0 0 0 0 0 0 0 0.414400 3.840600 -3.442300 1XA 0 0.15000 0.15000 UNCH H5 16
41 6 1 0 0 0 0 0 0 0 0 0 0 0.577400 2.272500 -1.579600 1XA 0 0.15000 0.15000 UNCH H6 17
41 8 1 0 0 0 0 0 0 0 0 0 0 0.308600 1.623700 0.666000 1XA 0 0.00000 0.00000 UNCH H81 18
41 8 1 0 0 0 0 0 0 0 0 0 0 1.738100 0.833400 -0.124300 1XA 0 0.00000 0.00000 UNCH H82 19
41 12 1 0 0 0 0 0 0 0 0 0 0 3.520300 4.405300 1.610700 1XA 0 0.06000 0.06000 UNCH H21 20
42 11 1 0 0 0 0 0 0 0 0 0 0 1.340500 -0.845300 2.918000 1XA 0 0.50000 0.50000 UNCH H11 21
34 [DIYPOQ,34,34,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 18 1 10 1 2 1 0 0 0 0 0 0 -7.844600 -7.163500 15.196800 1XA 0 -0.81970 -0.81970 DIYP N1 1
2 1 1 11 1 3 2 0 0 0 0 0 0 -7.654100 -7.946600 14.106300 1XA 0 1.20000 1.20000 DIYP C2 2
25 2 2 19 1 4 1 0 0 0 0 0 0 -7.796800 -7.408800 12.896900 1XA 0 -0.85970 -0.85970 DIYP N3 3
2 3 1 12 2 9 1 0 0 0 0 0 0 -8.128000 -6.063800 12.692000 1XA 0 0.89860 0.89860 DIYP C4 4
32 21 1 20 1 9 1 6 1 0 0 0 0 -8.707700 -3.889800 13.801800 1XA 0 -0.75900 -0.75900 DIYP N5 5
3 5 1 22 1 13 1 7 1 0 0 0 0 -8.344800 -3.018200 15.032100 1XA 0 0.50300 0.50300 DIYP C6 6
3 6 1 24 1 23 1 8 1 0 0 0 0 -8.787300 -3.764300 16.330900 1XA 0 0.36910 0.36910 DIYP C7 7
25 7 1 25 1 10 1 0 0 0 0 0 0 -8.312400 -5.158000 16.319201 1XA 0 -0.86910 -0.86910 DIYP N8 8
2 4 1 5 1 10 2 0 0 0 0 0 0 -8.324100 -5.274200 13.931300 1XA 0 0.37040 0.37040 DIYP C9 9
2 1 1 8 1 9 2 0 0 0 0 0 0 -8.180600 -5.840000 15.143900 1XA 0 0.40300 0.40300 DIYP C10 10
25 2 1 27 1 26 1 0 0 0 0 0 0 -7.327300 -9.233900 14.243900 1XA 0 -0.96670 -0.96670 DIYP N11 11
15 4 2 0 0 0 0 0 0 0 0 0 0 -8.240400 -5.574500 11.583200 1XA 0 -0.57000 -0.57000 DIYP O12 12
3 6 1 28 1 15 1 14 1 0 0 0 0 -9.086400 -1.675800 14.809700 1XA 0 0.28000 0.28000 DIYP C13 13
16 13 1 29 1 0 0 0 0 0 0 0 0 -10.417000 -2.012600 14.377300 1XA 0 -0.68000 -0.68000 DIYP O14 14
3 13 1 30 1 17 1 16 1 0 0 0 0 -9.072300 -0.759600 16.046600 1XA 0 0.28000 0.28000 DIYP C15 15
16 15 1 31 1 0 0 0 0 0 0 0 0 -7.755900 -0.784900 16.584999 1XA 0 -0.68000 -0.68000 DIYP O16 16
3 15 1 34 1 33 1 32 1 0 0 0 0 -9.463400 0.673100 15.703500 1XA 0 0.00000 0.00000 DIYP C17 17
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.695400 -7.609600 16.098499 1XA 0 0.45000 0.45000 DIYP H1 18
43 3 1 0 0 0 0 0 0 0 0 0 0 -7.657400 -7.970800 12.065300 1XA 0 0.45000 0.45000 DIYP H3 19
44 5 1 0 0 0 0 0 0 0 0 0 0 -9.734900 -3.777600 13.691300 1XA 0 0.45000 0.45000 DIYP H51 20
44 5 1 0 0 0 0 0 0 0 0 0 0 -8.317400 -3.468000 12.942700 1XA 0 0.45000 0.45000 DIYP H52 21
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.255600 -2.891900 15.008100 1XA 0 0.00000 0.00000 DIYP H6 22
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.880300 -3.772100 16.415701 1XA 0 0.00000 0.00000 DIYP H71 23
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.385100 -3.267600 17.218800 1XA 0 0.00000 0.00000 DIYP H72 24
43 8 1 0 0 0 0 0 0 0 0 0 0 -8.514800 -5.690700 17.165100 1XA 0 0.40000 0.40000 DIYP H8 25
43 11 1 0 0 0 0 0 0 0 0 0 0 -7.177000 -9.843400 13.444600 1XA 0 0.45000 0.45000 DIYP H111 26
43 11 1 0 0 0 0 0 0 0 0 0 0 -7.209100 -9.676200 15.150400 1XA 0 0.45000 0.45000 DIYP H112 27
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.598800 -1.166400 13.968400 1XA 0 0.00000 0.00000 DIYP H13 28
42 14 1 0 0 0 0 0 0 0 0 0 0 -10.919000 -1.178100 14.253100 1XA 0 0.40000 0.40000 DIYP H14 29
41 15 1 0 0 0 0 0 0 0 0 0 0 -9.765500 -1.137200 16.806700 1XA 0 0.00000 0.00000 DIYP H15 30
42 16 1 0 0 0 0 0 0 0 0 0 0 -7.679700 -0.066200 17.247000 1XA 0 0.40000 0.40000 DIYP H16 31
41 17 1 0 0 0 0 0 0 0 0 0 0 -8.765500 1.106100 14.978500 1XA 0 0.00000 0.00000 DIYP H171 32
41 17 1 0 0 0 0 0 0 0 0 0 0 -10.476200 0.729900 15.295100 1XA 0 0.00000 0.00000 DIYP H172 33
41 17 1 0 0 0 0 0 0 0 0 0 0 -9.417600 1.305300 16.596901 1XA 0 0.00000 0.00000 DIYP H173 34
16 [DIYPUW,16,16,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 2 2 0 0 0 0 0 0 0 0 0 0 -8.883900 -2.746500 14.355200 1XA 0 -0.57000 -0.57000 UNCH O1 1
2 1 2 3 1 10 1 0 0 0 0 0 0 -8.884000 -3.976400 14.355000 1XA 0 0.69000 0.69000 UNCH C1 2
25 2 1 4 1 5 1 0 0 0 0 0 0 -9.893900 -4.775200 14.912600 1XA 0 -0.35800 -0.35800 UNCH N1 3
3 3 1 5 1 6 1 7 1 0 0 0 0 -10.549800 -4.368000 16.122400 1XA 0 -0.05100 -0.05100 UNCH C2 4
3 3 1 4 1 8 1 9 1 0 0 0 0 -11.267200 -4.367800 14.823600 1XA 0 -0.05100 -0.05100 UNCH C3 5
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.709500 -5.180500 16.816401 1XA 0 0.10000 0.10000 UNCH H21 6
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.215600 -3.427600 16.540501 1XA 0 0.10000 0.10000 UNCH H22 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -11.939600 -5.180100 14.588900 1XA 0 0.10000 0.10000 UNCH H31 8
41 5 1 0 0 0 0 0 0 0 0 0 0 -11.442800 -3.427200 14.318200 1XA 0 0.10000 0.10000 UNCH H32 9
25 2 1 11 1 12 1 0 0 0 0 0 0 -7.874200 -4.775100 13.797200 1XA 0 -0.35800 -0.35800 UNCH N1B 10
3 10 1 12 1 13 1 14 1 0 0 0 0 -7.218200 -4.367700 12.587500 1XA 0 -0.05100 -0.05100 UNCH C2B 11
3 10 1 11 1 15 1 16 1 0 0 0 0 -6.500900 -4.367900 13.886400 1XA 0 -0.05100 -0.05100 UNCH C3B 12
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.058700 -5.180000 11.893300 1XA 0 0.10000 0.10000 UNCH H21B 13
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.552400 -3.427100 12.169700 1XA 0 0.10000 0.10000 UNCH H22B 14
41 12 1 0 0 0 0 0 0 0 0 0 0 -5.828500 -5.180400 14.120800 1XA 0 0.10000 0.10000 UNCH H31B 15
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.325100 -3.427500 14.391900 1XA 0 0.10000 0.10000 UNCH H32B 16
28 [DIZPUX,28,28,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 11 2 0 0 0 0 0 0 0 0 0 0 -6.994700 -5.189700 11.848400 1XA 0 -0.57000 -0.57000 CHGB O1 1
32 3 1 6 1 13 1 14 1 0 0 0 0 -9.227700 -2.444200 13.068800 1XA 0 -0.90600 -0.90600 CHGB N1 2
3 2 1 4 1 10 1 15 1 0 0 0 0 -9.205200 -3.930900 12.856300 1XA 0 0.64120 0.64120 CHGB C1 3
3 3 1 5 1 16 1 17 1 0 0 0 0 -10.657100 -4.350200 13.131100 1XA 0 0.00000 0.00000 CHGB C2 4
3 4 1 6 1 18 1 19 1 0 0 0 0 -11.332300 -3.168600 13.826000 1XA 0 0.00000 0.00000 CHGB C3 5
3 2 1 5 1 7 1 20 1 0 0 0 0 -10.224900 -2.176100 14.143000 1XA 0 0.50300 0.50300 CHGB C4 6
3 6 1 8 1 21 1 22 1 0 0 0 0 -9.570000 -2.331700 15.517500 1XA 0 0.00000 0.00000 CHGB C5 7
3 7 1 9 1 23 1 24 1 0 0 0 0 -9.190300 -3.746900 15.967700 1XA 0 0.13820 0.13820 CHGB C6 8
2 8 1 10 2 25 1 0 0 0 0 0 0 -8.203500 -4.499300 15.116200 1XA 0 -0.28820 -0.28820 CHGB C7 9
2 3 1 9 2 11 1 0 0 0 0 0 0 -8.204200 -4.595300 13.771400 1XA 0 -0.12380 -0.12380 CHGB C8 10
2 1 2 10 1 12 1 0 0 0 0 0 0 -7.147900 -5.386400 13.053000 1XA 0 0.49460 0.49460 CHGB C9 11
3 11 1 26 1 27 1 28 1 0 0 0 0 -6.285600 -6.367800 13.804300 1XA 0 0.06100 0.06100 CHGB C10 12
44 2 1 0 0 0 0 0 0 0 0 0 0 -9.516200 -1.990500 12.191400 1XA 0 0.45000 0.45000 CHGB H11 13
44 2 1 0 0 0 0 0 0 0 0 0 0 -8.286700 -2.085300 13.279400 1XA 0 0.45000 0.45000 CHGB H12 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.980500 -4.070800 11.795300 1XA 0 0.00000 0.00000 CHGB H1 15
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.727600 -5.262300 13.734500 1XA 0 0.00000 0.00000 CHGB H21 16
41 4 1 0 0 0 0 0 0 0 0 0 0 -11.174500 -4.564900 12.188000 1XA 0 0.00000 0.00000 CHGB H22 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -11.899900 -3.474000 14.710600 1XA 0 0.00000 0.00000 CHGB H31 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -12.048400 -2.710200 13.132400 1XA 0 0.00000 0.00000 CHGB H32 19
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.561700 -1.141900 14.013200 1XA 0 0.00000 0.00000 CHGB H4 20
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.267300 -1.930900 16.265100 1XA 0 0.00000 0.00000 CHGB H51 21
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.679400 -1.691000 15.566300 1XA 0 0.00000 0.00000 CHGB H52 22
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.085900 -4.364300 16.103600 1XA 0 0.00000 0.00000 CHGB H61 23
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.749000 -3.653900 16.969299 1XA 0 0.00000 0.00000 CHGB H62 24
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.444400 -5.020500 15.701200 1XA 0 0.15000 0.15000 CHGB H7 25
41 12 1 0 0 0 0 0 0 0 0 0 0 -5.772300 -7.015700 13.087200 1XA 0 0.00000 0.00000 CHGB H101 26
41 12 1 0 0 0 0 0 0 0 0 0 0 -5.537300 -5.832500 14.393900 1XA 0 0.00000 0.00000 CHGB H102 27
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.900400 -7.005900 14.444500 1XA 0 0.00000 0.00000 CHGB H103 28
14 [DMEOXA01,14,14,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 3 2 4 1 8 1 0 0 0 0 0 0 -8.501300 -3.630200 14.654700 1XA 0 0.72000 0.72000 UNCH C1 1
3 4 1 5 1 6 1 7 1 0 0 0 0 -7.853300 -2.622500 16.655500 1XA 0 0.28000 0.28000 UNCH C2 2
15 1 2 0 0 0 0 0 0 0 0 0 0 -7.961000 -2.767800 13.983600 1XA 0 -0.57000 -0.57000 UNCH O1 3
16 1 1 2 1 0 0 0 0 0 0 0 0 -8.534000 -3.694700 16.005699 1XA 0 -0.43000 -0.43000 UNCH O2 4
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.940100 -2.770200 17.735500 1XA 0 0.00000 0.00000 UNCH H1 5
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.314600 -1.663500 16.399200 1XA 0 0.00000 0.00000 UNCH H2 6
41 2 1 0 0 0 0 0 0 0 0 0 0 -6.791400 -2.624900 16.390100 1XA 0 0.00000 0.00000 UNCH H3 7
2 1 1 9 2 10 1 0 0 0 0 0 0 -9.266700 -4.837200 14.055300 1XA 0 0.72000 0.72000 UNCH C1B 8
15 8 2 0 0 0 0 0 0 0 0 0 0 -9.807000 -5.699600 14.726400 1XA 0 -0.57000 -0.57000 UNCH O1B 9
16 8 1 11 1 0 0 0 0 0 0 0 0 -9.234000 -4.772700 12.704300 1XA 0 -0.43000 -0.43000 UNCH O2B 10
3 10 1 12 1 13 1 14 1 0 0 0 0 -9.914700 -5.844900 12.054500 1XA 0 0.28000 0.28000 UNCH C2B 11
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.827900 -5.697200 10.974500 1XA 0 0.00000 0.00000 UNCH H1B 12
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.453400 -6.803900 12.310800 1XA 0 0.00000 0.00000 UNCH H2B 13
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.976600 -5.842500 12.319900 1XA 0 0.00000 0.00000 UNCH H3B 14
16 [DOCCIH,16,16,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 2 0 0 0 0 0 0 0 0 0 0 -6.969200 -7.277900 16.076300 1XA 0 -0.75000 -0.75000 DOCC S1 1
51 3 1 0 0 0 0 0 0 0 0 0 0 -5.359400 -4.716100 16.155199 1XA 0 -0.75000 -0.75000 DOCC S2 2
2 1 2 2 1 4 1 0 0 0 0 0 0 -6.729400 -5.630600 15.749900 1XA 0 0.67900 0.67900 DOCC C1 3
2 3 1 6 1 5 2 0 0 0 0 0 0 -7.836200 -4.913000 15.033400 1XA 0 -0.17900 -0.17900 DOCC C2 4
2 4 2 9 1 7 1 0 0 0 0 0 0 -8.870000 -4.285400 15.749400 1XA 0 -0.15000 -0.15000 DOCC C3 5
2 4 1 10 2 8 1 0 0 0 0 0 0 -7.864900 -4.851800 13.629500 1XA 0 -0.15000 -0.15000 DOCC C4 6
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.868300 -4.319900 16.835600 1XA 0 0.15000 0.15000 DOCC H1 7
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.075800 -5.330000 13.055300 1XA 0 0.15000 0.15000 DOCC H2 8
2 5 1 12 1 11 2 0 0 0 0 0 0 -9.903200 -3.615600 15.080500 1XA 0 -0.15000 -0.15000 DOCC C4B 9
2 6 2 13 1 11 1 0 0 0 0 0 0 -8.898000 -4.182000 12.960700 1XA 0 -0.15000 -0.15000 DOCC C3B 10
2 9 2 10 1 14 1 0 0 0 0 0 0 -9.931900 -3.554400 13.676700 1XA 0 -0.17900 -0.17900 DOCC C2B 11
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.692300 -3.137400 15.654700 1XA 0 0.15000 0.15000 DOCC H2B 12
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.899800 -4.147400 11.874500 1XA 0 0.15000 0.15000 DOCC H1B 13
2 11 1 16 1 15 2 0 0 0 0 0 0 -11.038700 -2.836800 12.960100 1XA 0 0.67900 0.67900 DOCC C1B 14
49 14 2 0 0 0 0 0 0 0 0 0 0 -10.798900 -1.189500 12.633700 1XA 0 -0.75000 -0.75000 DOCC S1B 15
51 14 1 0 0 0 0 0 0 0 0 0 0 -12.408700 -3.751300 12.554900 1XA 0 -0.75000 -0.75000 DOCC S2B 16
21 [DOCFIK,21,21,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 12 1 0 0 0 0 0 0 0 0 -9.331100 -5.083900 13.002400 1XA 0 0.14000 0.14000 UNCH S10 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -10.300600 -4.283500 14.086500 1XA 0 -0.52000 -0.52000 UNCH N1 2
2 2 2 4 1 9 1 0 0 0 0 0 0 -11.515700 -3.945000 13.772200 1XA 0 0.74400 0.74400 UNCH C1 3
57 3 1 0 0 0 0 0 0 0 0 0 0 -12.253300 -4.273900 12.236500 1XA 0 -0.20900 -0.20900 UNCH CL1 4
49 6 1 9 1 0 0 0 0 0 0 0 0 -11.772700 -2.839900 16.306900 1XA 0 0.18070 0.18070 UNCH S1 5
25 5 1 7 2 0 0 0 0 0 0 0 0 -13.210300 -2.113100 16.756201 1XA 0 -0.50950 -0.50950 UNCH N2 6
2 6 2 8 1 10 1 0 0 0 0 0 0 -14.025600 -2.220000 15.704600 1XA 0 0.53500 0.53500 UNCH C3 7
25 7 1 9 2 0 0 0 0 0 0 0 0 -13.587300 -2.848800 14.542800 1XA 0 -0.56530 -0.56530 UNCH N4 8
2 3 1 5 1 8 2 0 0 0 0 0 0 -12.342000 -3.245700 14.738900 1XA 0 0.29310 0.29310 UNCH C5 9
1 7 1 11 3 0 0 0 0 0 0 0 0 -15.356400 -1.682500 15.780100 1XA 0 0.53810 0.53810 UNCH C6 10
24 10 3 0 0 0 0 0 0 0 0 0 0 -16.434799 -1.250500 15.832500 1XA 0 -0.55710 -0.55710 UNCH N7 11
25 1 1 13 2 0 0 0 0 0 0 0 0 -7.995700 -5.204300 13.981100 1XA 0 -0.52000 -0.52000 UNCH N1_ 12
2 12 2 14 1 19 1 0 0 0 0 0 0 -6.910700 -5.784700 13.561700 1XA 0 0.74400 0.74400 UNCH C1_ 13
57 13 1 0 0 0 0 0 0 0 0 0 0 -6.725600 -6.482200 11.983800 1XA 0 -0.20900 -0.20900 UNCH CL1_ 14
49 16 1 19 1 0 0 0 0 0 0 0 0 -5.765700 -5.239700 16.032301 1XA 0 0.18070 0.18070 UNCH S1_ 15
25 15 1 17 2 0 0 0 0 0 0 0 0 -4.193100 -5.715600 16.344000 1XA 0 -0.50950 -0.50950 UNCH N2_ 16
2 16 2 18 1 20 1 0 0 0 0 0 0 -3.761100 -6.320800 15.235400 1XA 0 0.53500 0.53500 UNCH C3_ 17
25 17 1 19 2 0 0 0 0 0 0 0 0 -4.601200 -6.438800 14.132000 1XA 0 -0.56530 -0.56530 UNCH N4_ 18
2 13 1 15 1 18 2 0 0 0 0 0 0 -5.757400 -5.876400 14.437900 1XA 0 0.29310 0.29310 UNCH C5_ 19
1 17 1 21 3 0 0 0 0 0 0 0 0 -2.425100 -6.848700 15.188900 1XA 0 0.53810 0.53810 UNCH C6_ 20
24 20 3 0 0 0 0 0 0 0 0 0 0 -1.345600 -7.278800 15.142700 1XA 0 -0.55710 -0.55710 UNCH N7_ 21
26 [DOCWUN,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 8 2 0 0 0 0 0 0 0 0 0 0 -9.380100 -2.989900 15.535600 1XA 0 -0.57000 -0.57000 DOCW O1 1
16 16 1 5 1 0 0 0 0 0 0 0 0 -5.487200 -2.262800 15.172800 1XA 0 -0.33700 -0.33700 DOCW O2 2
16 17 1 6 1 0 0 0 0 0 0 0 0 -8.116700 -7.353000 14.679400 1XA 0 -0.33700 -0.33700 DOCW O3 3
25 13 1 12 1 8 1 0 0 0 0 0 0 -8.846400 -4.746300 14.100000 1XA 0 -0.22900 -0.22900 DOCW N1 4
25 2 1 14 2 0 0 0 0 0 0 0 0 -6.263200 -3.230900 14.523600 1XA 0 -0.51300 -0.51300 DOCW N2 5
25 3 1 13 2 0 0 0 0 0 0 0 0 -7.253800 -6.326000 15.074100 1XA 0 -0.51300 -0.51300 DOCW N3 6
3 20 1 19 1 18 1 9 1 0 0 0 0 -11.415200 -1.921100 13.971000 1XA 0 0.13820 0.13820 DOCW C1 7
2 1 2 4 1 9 1 0 0 0 0 0 0 -9.559800 -3.603800 14.483200 1XA 0 0.61560 0.61560 DOCW C2 8
2 7 1 8 1 10 2 0 0 0 0 0 0 -10.678600 -3.162100 13.579000 1XA 0 -0.12380 -0.12380 DOCW C3 9
2 9 2 21 1 11 1 0 0 0 0 0 0 -10.973600 -3.890100 12.492100 1XA 0 -0.15000 -0.15000 DOCW C4 10
2 10 1 22 1 12 2 0 0 0 0 0 0 -10.218600 -5.066700 12.168800 1XA 0 -0.15000 -0.15000 DOCW C5 11
2 4 1 11 2 23 1 0 0 0 0 0 0 -9.201500 -5.444800 12.949800 1XA 0 -0.04100 -0.04100 DOCW C6 12
2 4 1 6 2 14 1 0 0 0 0 0 0 -7.716100 -5.129800 14.833200 1XA 0 0.51000 0.51000 DOCW C7 13
2 5 2 13 1 15 1 0 0 0 0 0 0 -6.875200 -3.992600 15.385200 1XA 0 0.38900 0.38900 DOCW C8 14
3 14 1 26 1 25 1 24 1 0 0 0 0 -6.773800 -3.896000 16.881300 1XA 0 0.06100 0.06100 DOCW C9 15
42 2 1 0 0 0 0 0 0 0 0 0 0 -5.114500 -1.756400 14.427400 1XA 0 0.40000 0.40000 DOCW H1 16
42 3 1 0 0 0 0 0 0 0 0 0 0 -7.644400 -8.151400 14.982800 1XA 0 0.40000 0.40000 DOCW H2 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.888900 -2.047400 14.950000 1XA 0 0.00000 0.00000 DOCW H3 18
41 7 1 0 0 0 0 0 0 0 0 0 0 -12.202500 -1.671500 13.251700 1XA 0 0.00000 0.00000 DOCW H4 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.730300 -1.068300 14.021000 1XA 0 0.00000 0.00000 DOCW H5 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.778600 -3.605200 11.821300 1XA 0 0.15000 0.15000 DOCW H6 21
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.467500 -5.617100 11.267100 1XA 0 0.15000 0.15000 DOCW H7 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.591500 -6.299000 12.674100 1XA 0 0.15000 0.15000 DOCW H8 23
41 15 1 0 0 0 0 0 0 0 0 0 0 -5.794000 -4.261900 17.199699 1XA 0 0.00000 0.00000 DOCW H9 24
41 15 1 0 0 0 0 0 0 0 0 0 0 -7.551200 -4.498400 17.359100 1XA 0 0.00000 0.00000 DOCW H10 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -6.896600 -2.858300 17.202801 1XA 0 0.00000 0.00000 DOCW H11 26
31 [DODNOZ,31,31,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 1 7 1 12 1 0 0 0 0 0 0 -8.785900 -4.194500 14.897300 1XA 0 -0.41400 -0.41400 UNCH N1 1
49 1 1 3 2 4 2 5 1 0 0 0 0 -7.696000 -4.571900 13.701300 1XA 0 1.33280 1.33280 UNCH S1 2
15 2 2 0 0 0 0 0 0 0 0 0 0 -6.817200 -3.435500 13.495900 1XA 0 -0.65000 -0.65000 UNCH O1 3
15 2 2 0 0 0 0 0 0 0 0 0 0 -7.126900 -5.874600 13.980200 1XA 0 -0.65000 -0.65000 UNCH O2 4
3 2 1 6 1 17 1 18 1 0 0 0 0 -8.627200 -4.695300 12.170300 1XA 0 0.10520 0.10520 UNCH C1 5
3 5 1 19 1 20 1 21 1 0 0 0 0 -9.598100 -3.553300 11.957800 1XA 0 0.00000 0.00000 UNCH C2 6
49 1 1 8 2 9 2 10 1 0 0 0 0 -8.198900 -3.299900 16.180300 1XA 0 1.33280 1.33280 UNCH S2 7
15 7 2 0 0 0 0 0 0 0 0 0 0 -9.165900 -3.270900 17.260000 1XA 0 -0.65000 -0.65000 UNCH O3 8
15 7 2 0 0 0 0 0 0 0 0 0 0 -6.855500 -3.742200 16.491800 1XA 0 -0.65000 -0.65000 UNCH O4 9
3 7 1 11 1 22 1 23 1 0 0 0 0 -8.116500 -1.619800 15.559100 1XA 0 0.10520 0.10520 UNCH C3 10
3 10 1 24 1 25 1 26 1 0 0 0 0 -9.459000 -1.102400 15.084400 1XA 0 0.00000 0.00000 UNCH C4 11
49 1 1 13 2 14 2 15 1 0 0 0 0 -9.984300 -5.298100 15.240400 1XA 0 1.33280 1.33280 UNCH S3 12
15 12 2 0 0 0 0 0 0 0 0 0 0 -11.128600 -4.578700 15.763600 1XA 0 -0.65000 -0.65000 UNCH O5 13
15 12 2 0 0 0 0 0 0 0 0 0 0 -10.205500 -6.138800 14.080100 1XA 0 -0.65000 -0.65000 UNCH O6 14
3 12 1 16 1 27 1 28 1 0 0 0 0 -9.291400 -6.345600 16.531900 1XA 0 0.10520 0.10520 UNCH C7 15
3 15 1 29 1 30 1 31 1 0 0 0 0 -10.239000 -7.480700 16.875401 1XA 0 0.00000 0.00000 UNCH C8 16
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.119800 -5.665600 12.109500 1XA 0 0.00000 0.00000 UNCH H11 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.875700 -4.682800 11.371800 1XA 0 0.00000 0.00000 UNCH H12 18
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.065100 -3.634600 10.971400 1XA 0 0.00000 0.00000 UNCH H21 19
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.396200 -3.558100 12.704900 1XA 0 0.00000 0.00000 UNCH H22 20
41 6 1 0 0 0 0 0 0 0 0 0 0 -9.088800 -2.586100 12.012000 1XA 0 0.00000 0.00000 UNCH H23 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.363300 -1.549000 14.775700 1XA 0 0.00000 0.00000 UNCH H31 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.764600 -1.009200 16.398300 1XA 0 0.00000 0.00000 UNCH H32 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.846200 -1.694900 14.252500 1XA 0 0.00000 0.00000 UNCH H41 24
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.366800 -0.065400 14.747500 1XA 0 0.00000 0.00000 UNCH H42 25
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.201700 -1.131900 15.887900 1XA 0 0.00000 0.00000 UNCH H43 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -9.110400 -5.745400 17.424000 1XA 0 0.00000 0.00000 UNCH H71 27
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.344800 -6.749300 16.165400 1XA 0 0.00000 0.00000 UNCH H72 28
41 16 1 0 0 0 0 0 0 0 0 0 0 -11.202800 -7.096400 17.224300 1XA 0 0.00000 0.00000 UNCH H81 29
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.812700 -8.105000 17.666500 1XA 0 0.00000 0.00000 UNCH H82 30
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.427300 -8.116600 16.004700 1XA 0 0.00000 0.00000 UNCH H83 31
22 [DODNUF,22,22,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 1 7 1 12 1 0 0 0 0 0 0 -8.325300 -3.739700 15.108000 1XA 0 -0.69600 -0.69600 UNCH N1 1
49 1 1 3 2 4 2 5 1 0 0 0 0 -7.108100 -3.333300 14.098700 1XA 0 1.33280 1.33280 UNCH S1 2
15 2 2 0 0 0 0 0 0 0 0 0 0 -7.624500 -2.427000 13.097400 1XA 0 -0.65000 -0.65000 UNCH O11 3
15 2 2 0 0 0 0 0 0 0 0 0 0 -6.020700 -2.916000 14.960700 1XA 0 -0.65000 -0.65000 UNCH O12 4
3 2 1 6 1 13 1 14 1 0 0 0 0 -6.616300 -4.862600 13.304000 1XA 0 0.10520 0.10520 UNCH C11 5
3 5 1 15 1 16 1 17 1 0 0 0 0 -6.347100 -5.983000 14.287400 1XA 0 0.00000 0.00000 UNCH C12 6
49 1 1 8 2 9 2 10 1 0 0 0 0 -9.829800 -4.175100 14.638800 1XA 0 1.33280 1.33280 UNCH S2 7
15 7 2 0 0 0 0 0 0 0 0 0 0 -9.728400 -5.016700 13.468400 1XA 0 -0.65000 -0.65000 UNCH O21 8
15 7 2 0 0 0 0 0 0 0 0 0 0 -10.467600 -4.667500 15.842600 1XA 0 -0.65000 -0.65000 UNCH O22 9
3 7 1 11 1 18 1 19 1 0 0 0 0 -10.605900 -2.621000 14.196800 1XA 0 0.10520 0.10520 UNCH C21 10
3 10 1 20 1 21 1 22 1 0 0 0 0 -12.083000 -2.809700 13.907700 1XA 0 0.00000 0.00000 UNCH C22 11
43 1 1 0 0 0 0 0 0 0 0 0 0 -8.112100 -3.802900 16.095600 1XA 0 0.42000 0.42000 UNCH H1 12
41 5 1 0 0 0 0 0 0 0 0 0 0 -5.705200 -4.631500 12.741700 1XA 0 0.00000 0.00000 UNCH H111 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.386800 -5.141400 12.582100 1XA 0 0.00000 0.00000 UNCH H112 14
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.583100 -5.695200 15.016400 1XA 0 0.00000 0.00000 UNCH H121 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.993700 -6.873300 13.758000 1XA 0 0.00000 0.00000 UNCH H122 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.250600 -6.257700 14.839700 1XA 0 0.00000 0.00000 UNCH H123 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.106300 -2.226000 13.310600 1XA 0 0.00000 0.00000 UNCH H211 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.469200 -1.933200 15.036300 1XA 0 0.00000 0.00000 UNCH H212 19
41 11 1 0 0 0 0 0 0 0 0 0 0 -12.541000 -1.855600 13.630000 1XA 0 0.00000 0.00000 UNCH H221 20
41 11 1 0 0 0 0 0 0 0 0 0 0 -12.610800 -3.198900 14.784200 1XA 0 0.00000 0.00000 UNCH H222 21
41 11 1 0 0 0 0 0 0 0 0 0 0 -12.235500 -3.515600 13.085000 1XA 0 0.00000 0.00000 UNCH H223 22
21 [DOJPAT,21,21,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 2 3 2 4 1 11 1 0 0 0 0 -10.905600 -4.476400 14.392900 1XA 0 1.08960 1.08960 UNCH S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -12.020100 -5.119700 15.055100 1XA 0 -0.65000 -0.65000 UNCH O1 2
15 1 2 0 0 0 0 0 0 0 0 0 0 -11.086600 -3.616000 13.241500 1XA 0 -0.65000 -0.65000 UNCH O2 3
3 1 1 5 1 12 1 13 1 0 0 0 0 -9.680900 -5.699600 13.993300 1XA 0 0.10520 0.10520 UNCH C1 4
3 4 1 6 1 10 1 14 1 0 0 0 0 -8.334800 -5.034100 14.241100 1XA 0 0.00000 0.00000 UNCH C2 5
3 5 1 7 1 9 1 15 1 0 0 0 0 -7.835300 -4.096900 13.118900 1XA 0 0.13800 0.13800 UNCH C3 6
2 6 1 8 2 16 1 0 0 0 0 0 0 -6.348800 -3.822200 13.150900 1XA 0 -0.28800 -0.28800 UNCH C4 7
2 7 2 9 1 17 1 0 0 0 0 0 0 -6.478500 -2.757800 13.966700 1XA 0 -0.28800 -0.28800 UNCH C5 8
3 6 1 8 1 10 1 18 1 0 0 0 0 -7.982900 -2.885000 14.047800 1XA 0 0.13800 0.13800 UNCH C6 9
3 5 1 9 1 11 1 19 1 0 0 0 0 -8.484900 -3.801900 15.185500 1XA 0 0.00000 0.00000 UNCH C7 10
3 1 1 10 1 20 1 21 1 0 0 0 0 -9.936100 -3.604200 15.599200 1XA 0 0.10520 0.10520 UNCH C8 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.814400 -6.037300 12.963300 1XA 0 0.00000 0.00000 UNCH H11 12
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.827000 -6.539500 14.679200 1XA 0 0.00000 0.00000 UNCH H12 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.583500 -5.764700 14.566900 1XA 0 0.00000 0.00000 UNCH H2 14
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.366500 -4.063300 12.165900 1XA 0 0.00000 0.00000 UNCH H3 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.500600 -4.307600 12.676400 1XA 0 0.15000 0.15000 UNCH H4 16
41 8 1 0 0 0 0 0 0 0 0 0 0 -5.775000 -2.054400 14.403400 1XA 0 0.15000 0.15000 UNCH H5 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.610300 -2.062400 13.699500 1XA 0 0.00000 0.00000 UNCH H6 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.820600 -3.817900 16.059000 1XA 0 0.00000 0.00000 UNCH H7 19
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.127300 -4.074200 16.568701 1XA 0 0.00000 0.00000 UNCH H81 20
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.238600 -2.555400 15.632000 1XA 0 0.00000 0.00000 UNCH H82 21
28 [DONFOB,28,28,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 1 6 2 7 2 8 1 0 0 0 0 -6.082400 -2.290900 13.872100 1XA 0 1.56800 1.56800 CHGB S1 1
49 4 1 9 2 10 2 11 1 0 0 0 0 -11.520000 -6.273100 13.414600 1XA 0 1.56800 1.56800 CHGB S2 2
49 1 1 16 1 0 0 0 0 0 0 0 0 -6.239700 -3.037500 15.820600 1XA 0 -0.34800 -0.34800 CHGB S3 3
49 2 1 15 1 0 0 0 0 0 0 0 0 -10.998100 -5.350900 15.239400 1XA 0 -0.34800 -0.34800 CHGB S4 4
32 12 1 13 1 14 1 28 1 0 0 0 0 -7.111100 -5.529900 14.028900 1XA 0 -0.95900 -0.95900 CHGB N1 5
15 1 2 0 0 0 0 0 0 0 0 0 0 -5.752700 -3.536200 13.178000 1XA 0 -0.81670 -0.81670 CHGB O1 6
15 1 2 0 0 0 0 0 0 0 0 0 0 -7.426000 -1.796400 13.630600 1XA 0 -0.81670 -0.81670 CHGB O2 7
18 1 1 0 0 0 0 0 0 0 0 0 0 -5.015000 -1.313600 13.974800 1XA 0 -0.81670 -0.81670 CHGB O3 8
15 2 2 0 0 0 0 0 0 0 0 0 0 -10.467700 -5.780900 12.532500 1XA 0 -0.81670 -0.81670 CHGB O4 9
15 2 2 0 0 0 0 0 0 0 0 0 0 -11.403600 -7.685700 13.755900 1XA 0 -0.81670 -0.81670 CHGB O5 10
18 2 1 0 0 0 0 0 0 0 0 0 0 -12.861700 -5.775500 13.163800 1XA 0 -0.81670 -0.81670 CHGB O6 11
3 5 1 17 1 18 1 19 1 0 0 0 0 -7.476100 -6.090400 12.675300 1XA 0 0.50300 0.50300 CHGB C1 12
3 5 1 20 1 21 1 22 1 0 0 0 0 -6.327200 -6.477800 14.855900 1XA 0 0.50300 0.50300 CHGB C2 13
3 5 1 15 1 16 1 23 1 0 0 0 0 -8.301100 -4.819000 14.690500 1XA 0 0.50300 0.50300 CHGB C3 14
3 4 1 14 1 24 1 25 1 0 0 0 0 -9.265600 -5.871100 15.297200 1XA 0 0.23000 0.23000 CHGB C4 15
3 3 1 14 1 26 1 27 1 0 0 0 0 -7.892900 -3.796100 15.798600 1XA 0 0.23000 0.23000 CHGB C5 16
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.549200 -6.412600 12.191400 1XA 0 0.00000 0.00000 CHGB H1 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.140800 -6.945400 12.809600 1XA 0 0.00000 0.00000 CHGB H2 18
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.933400 -5.297100 12.079500 1XA 0 0.00000 0.00000 CHGB H3 19
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.905000 -7.395100 14.994500 1XA 0 0.00000 0.00000 CHGB H4 20
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.393900 -6.696600 14.329700 1XA 0 0.00000 0.00000 CHGB H5 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.106200 -6.020900 15.821900 1XA 0 0.00000 0.00000 CHGB H6 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.775400 -4.255600 13.878800 1XA 0 0.00000 0.00000 CHGB H7 23
41 15 1 0 0 0 0 0 0 0 0 0 0 -9.015400 -6.074400 16.344200 1XA 0 0.00000 0.00000 CHGB H8 24
41 15 1 0 0 0 0 0 0 0 0 0 0 -9.179500 -6.837600 14.794800 1XA 0 0.00000 0.00000 CHGB H9 25
41 16 1 0 0 0 0 0 0 0 0 0 0 -8.633100 -2.987200 15.811200 1XA 0 0.00000 0.00000 CHGB H10 26
41 16 1 0 0 0 0 0 0 0 0 0 0 -7.972600 -4.271300 16.782600 1XA 0 0.00000 0.00000 CHGB H11 27
44 5 1 0 0 0 0 0 0 0 0 0 0 -6.456900 -4.761200 13.742800 1XA 0 0.45000 0.45000 CHGB H12 28
15 [DOSNOO,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 1 6 1 9 1 0 0 0 0 0 0 -8.538000 -3.572200 14.692500 1XA 0 -0.68130 -0.68130 DOPD N1 1
49 1 1 3 1 14 2 15 2 0 0 0 0 -9.486300 -4.036100 15.991000 1XA 0 1.33900 1.33900 DOPD S2 2
3 2 1 4 1 5 1 6 1 0 0 0 0 -8.231200 -5.293700 15.985400 1XA 0 0.09900 0.09900 DOPD C3 3
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.608600 -6.301200 16.173300 1XA 0 0.00000 0.00000 DOPD H31 4
41 3 1 0 0 0 0 0 0 0 0 0 0 -7.404300 -5.063700 16.663601 1XA 0 0.00000 0.00000 DOPD H32 5
3 1 1 3 1 7 1 8 1 0 0 0 0 -7.983900 -4.938900 14.507100 1XA 0 0.30700 0.30700 DOPD C4 6
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.562300 -5.544100 13.798500 1XA 0 0.00000 0.00000 DOPD H41 7
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.932500 -4.945500 14.206600 1XA 0 0.00000 0.00000 DOPD H42 8
2 1 1 10 2 11 1 0 0 0 0 0 0 -9.019600 -2.848900 13.606700 1XA 0 0.86630 0.86630 DOPD C5 9
15 9 2 0 0 0 0 0 0 0 0 0 0 -10.082400 -2.250100 13.586700 1XA 0 -0.57000 -0.57000 DOPD O6 10
25 9 1 12 1 13 1 0 0 0 0 0 0 -8.163700 -2.786100 12.554500 1XA 0 -0.80000 -0.80000 DOPD N7 11
43 11 1 0 0 0 0 0 0 0 0 0 0 -7.183400 -2.933900 12.734100 1XA 0 0.37000 0.37000 DOPD H71 12
43 11 1 0 0 0 0 0 0 0 0 0 0 -8.411400 -2.095800 11.857900 1XA 0 0.37000 0.37000 DOPD H72 13
15 2 2 0 0 0 0 0 0 0 0 0 0 -10.748400 -4.594100 15.568900 1XA 0 -0.65000 -0.65000 DOPD O8 14
15 2 2 0 0 0 0 0 0 0 0 0 0 -9.309800 -3.134000 17.103100 1XA 0 -0.65000 -0.65000 DOPD O9 15
18 [DOTNIJ,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 2 0 0 0 0 0 0 0 0 0 0 -9.440400 -6.964600 12.422600 1XA 0 -0.38000 -0.38000 UNCH S1 1
25 3 1 4 1 12 1 0 0 0 0 0 0 -8.886500 -4.235700 12.631100 1XA 0 -0.23700 -0.23700 UNCH N1 2
2 1 2 2 1 8 1 0 0 0 0 0 0 -9.018500 -5.427600 11.906600 1XA 0 0.38000 0.38000 UNCH C1 3
2 2 1 5 2 13 1 0 0 0 0 0 0 -8.885400 -4.234900 14.065800 1XA 0 0.11700 0.11700 UNCH C2 4
2 4 2 6 1 9 1 0 0 0 0 0 0 -7.993000 -5.047200 14.780500 1XA 0 -0.15000 -0.15000 UNCH C3 5
2 5 1 7 2 10 1 0 0 0 0 0 0 -7.992400 -5.045400 16.177799 1XA 0 -0.15000 -0.15000 UNCH C4 6
2 6 2 11 1 14 1 0 0 0 0 0 0 -8.883200 -4.233300 16.875500 1XA 0 -0.15000 -0.15000 UNCH C5 7
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.841300 -5.270400 10.828200 1XA 0 0.06000 0.06000 UNCH H1 8
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.271000 -5.673300 14.262400 1XA 0 0.15000 0.15000 UNCH H3 9
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.293400 -5.676900 16.720400 1XA 0 0.15000 0.15000 UNCH H4 10
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.882300 -4.232700 17.962601 1XA 0 0.15000 0.15000 UNCH H5 11
2 2 1 15 2 16 1 0 0 0 0 0 0 -8.755700 -3.044500 11.905000 1XA 0 0.38000 0.38000 UNCH C1C 12
2 4 1 14 2 17 1 0 0 0 0 0 0 -9.776700 -3.421700 14.781000 1XA 0 -0.15000 -0.15000 UNCH C3C 13
2 7 1 13 2 18 1 0 0 0 0 0 0 -9.775100 -3.421900 16.178301 1XA 0 -0.15000 -0.15000 UNCH C4C 14
49 12 2 0 0 0 0 0 0 0 0 0 0 -8.333000 -1.507000 12.418700 1XA 0 -0.38000 -0.38000 UNCH S1C 15
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.934600 -3.202900 10.827100 1XA 0 0.06000 0.06000 UNCH H1C 16
41 13 1 0 0 0 0 0 0 0 0 0 0 -10.499500 -2.796100 14.263300 1XA 0 0.15000 0.15000 UNCH H3C 17
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.473300 -2.789800 16.721300 1XA 0 0.15000 0.15000 UNCH H4C 18
15 [DOTVEN,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 8 2 7 2 6 1 2 1 0 0 0 0 -9.576000 -5.811700 14.371500 1XA 0 1.62600 1.62600 DOTV S1 1
201 1 1 13 1 3 1 0 0 0 0 0 0 -8.202300 -5.438600 13.540800 1XA 0 -0.79430 -0.79430 DOTV N2 2
2 2 1 9 2 4 1 0 0 0 0 0 0 -7.973500 -4.147500 13.084000 1XA 0 0.74530 0.74530 DOTV C3 3
3 3 1 15 1 12 1 5 1 0 0 0 0 -8.980900 -3.107700 13.482600 1XA 0 0.12200 0.12200 DOTV C4 4
2 4 1 10 1 6 2 0 0 0 0 0 0 -9.593600 -3.351200 14.845300 1XA 0 0.43900 0.43900 DOTV C5 5
25 1 1 5 2 0 0 0 0 0 0 0 0 -9.884500 -4.528300 15.301500 1XA 0 -0.63800 -0.63800 DOTV N6 6
15 1 2 0 0 0 0 0 0 0 0 0 0 -10.618100 -5.924800 13.375800 1XA 0 -0.65000 -0.65000 DOTV O11 7
15 1 2 0 0 0 0 0 0 0 0 0 0 -9.230100 -6.937800 15.207800 1XA 0 -0.65000 -0.65000 DOTV O12 8
15 3 2 0 0 0 0 0 0 0 0 0 0 -7.021600 -3.908300 12.354300 1XA 0 -0.57000 -0.57000 DOTV O7 9
25 5 1 14 1 11 1 0 0 0 0 0 0 -9.884500 -2.259300 15.622400 1XA 0 -0.85000 -0.85000 DOTV N8 10
43 10 1 0 0 0 0 0 0 0 0 0 0 -10.110800 -2.470000 16.590900 1XA 0 0.40000 0.40000 DOTV H1 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -8.490700 -2.128400 13.472200 1XA 0 0.00000 0.00000 DOTV H3 12
45 2 1 0 0 0 0 0 0 0 0 0 0 -7.632900 -6.212800 13.220000 1XA 0 0.42000 0.42000 DOTV H4 13
43 10 1 0 0 0 0 0 0 0 0 0 0 -9.372200 -1.394300 15.490300 1XA 0 0.40000 0.40000 DOTV H5 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.784900 -3.097700 12.738900 1XA 0 0.00000 0.00000 DOTV H2 15
29 [DOTWOY,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 4 1 0 0 0 0 0 0 0 0 0 0 1.454400 1.558300 9.180400 1XA 0 -0.22730 -0.22730 UNCH CL1 1
57 4 1 0 0 0 0 0 0 0 0 0 0 1.626200 2.757100 11.846700 1XA 0 -0.22730 -0.22730 UNCH CL2 2
3 4 1 5 1 6 1 7 1 0 0 0 0 0.446100 4.203300 9.671700 1XA 0 0.03200 0.03200 UNCH C1 3
3 1 1 2 1 3 1 5 1 0 0 0 0 1.330600 3.045900 10.127500 1XA 0 0.45460 0.45460 UNCH C2 4
3 3 1 4 1 19 1 20 1 0 0 0 0 1.970000 4.264300 9.535500 1XA 0 -0.20000 -0.20000 UNCH C3 5
2 3 1 15 2 16 1 0 0 0 0 0 0 -0.169300 5.051200 10.730300 1XA 0 0.72000 0.72000 UNCH C4 6
2 3 1 8 2 12 1 0 0 0 0 0 0 -0.365300 4.115600 8.376200 1XA 0 -0.03200 -0.03200 UNCH C1_ 7
2 7 2 9 1 21 1 0 0 0 0 0 0 -1.406000 3.182100 8.223600 1XA 0 -0.15000 -0.15000 UNCH C2_ 8
2 8 1 10 2 22 1 0 0 0 0 0 0 -2.164400 3.105900 7.047900 1XA 0 -0.15000 -0.15000 UNCH C3_ 9
2 9 2 11 1 17 1 0 0 0 0 0 0 -1.906900 3.976000 5.992600 1XA 0 0.08250 0.08250 UNCH C4_ 10
2 10 1 12 2 23 1 0 0 0 0 0 0 -0.892600 4.922400 6.129900 1XA 0 -0.15000 -0.15000 UNCH C5_ 11
2 7 1 11 2 24 1 0 0 0 0 0 0 -0.136900 4.994600 7.304500 1XA 0 -0.15000 -0.15000 UNCH C6_ 12
3 14 1 17 1 25 1 26 1 0 0 0 0 -3.596500 3.046700 4.593000 1XA 0 0.28000 0.28000 UNCH C7_ 13
3 13 1 27 1 28 1 29 1 0 0 0 0 -4.168900 3.258300 3.202900 1XA 0 0.00000 0.00000 UNCH C8_ 14
15 6 2 0 0 0 0 0 0 0 0 0 0 0.207800 6.176900 11.013200 1XA 0 -0.57000 -0.57000 UNCH O1 15
16 6 1 18 1 0 0 0 0 0 0 0 0 -1.212200 4.469700 11.356900 1XA 0 -0.65000 -0.65000 UNCH O2 16
16 10 1 13 1 0 0 0 0 0 0 0 0 -2.565900 4.012000 4.796000 1XA 0 -0.36250 -0.36250 UNCH O4_ 17
42 16 1 0 0 0 0 0 0 0 0 0 0 -1.508400 5.143000 12.004800 1XA 0 0.50000 0.50000 UNCH H2 18
41 5 1 0 0 0 0 0 0 0 0 0 0 2.416200 4.178000 8.551500 1XA 0 0.10000 0.10000 UNCH H31 19
41 5 1 0 0 0 0 0 0 0 0 0 0 2.513900 4.937100 10.189900 1XA 0 0.10000 0.10000 UNCH H32 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -1.637300 2.495700 9.037600 1XA 0 0.15000 0.15000 UNCH H2_ 21
41 9 1 0 0 0 0 0 0 0 0 0 0 -2.947800 2.357300 6.996100 1XA 0 0.15000 0.15000 UNCH H3_ 22
41 11 1 0 0 0 0 0 0 0 0 0 0 -0.688900 5.614200 5.315900 1XA 0 0.15000 0.15000 UNCH H5_ 23
41 12 1 0 0 0 0 0 0 0 0 0 0 0.637400 5.756000 7.379300 1XA 0 0.15000 0.15000 UNCH H6_ 24
41 13 1 0 0 0 0 0 0 0 0 0 0 -3.187000 2.032100 4.660600 1XA 0 0.00000 0.00000 UNCH H71 25
41 13 1 0 0 0 0 0 0 0 0 0 0 -4.394200 3.181400 5.332500 1XA 0 0.00000 0.00000 UNCH H72 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -4.967200 2.540000 2.996400 1XA 0 0.00000 0.00000 UNCH H81 27
41 14 1 0 0 0 0 0 0 0 0 0 0 -3.387800 3.147200 2.443400 1XA 0 0.00000 0.00000 UNCH H82 28
41 14 1 0 0 0 0 0 0 0 0 0 0 -4.570200 4.272100 3.101400 1XA 0 0.00000 0.00000 UNCH H83 29
17 [DOWDEY,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 2 1 6 1 0 0 0 0 0 0 0 0 -10.251300 -3.954500 12.468100 1XA 0 -0.30000 -0.30000 UNCH O1 1
2 1 1 3 2 7 1 0 0 0 0 0 0 -9.533700 -2.946300 12.985100 1XA 0 0.65000 0.65000 UNCH C1 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -8.953700 -2.948100 14.133100 1XA 0 -0.62100 -0.62100 UNCH N1 3
2 3 1 5 2 8 1 0 0 0 0 0 0 -9.047400 -4.078200 14.903200 1XA 0 0.27200 0.27200 UNCH C2 4
2 4 2 6 1 10 1 0 0 0 0 0 0 -9.730100 -5.162000 14.497000 1XA 0 0.07940 0.07940 UNCH C3 5
2 1 1 5 1 12 2 0 0 0 0 0 0 -10.379000 -5.090000 13.187600 1XA 0 0.70560 0.70560 UNCH C4 6
25 2 1 13 1 14 1 0 0 0 0 0 0 -9.493700 -1.881500 12.150900 1XA 0 -0.85000 -0.85000 UNCH N2 7
49 4 1 9 1 0 0 0 0 0 0 0 0 -8.251500 -4.105300 16.484301 1XA 0 -0.33100 -0.33100 UNCH S1 8
3 8 1 15 1 16 1 17 1 0 0 0 0 -7.305200 -2.566500 16.443300 1XA 0 0.23000 0.23000 UNCH C5 9
1 5 1 11 3 0 0 0 0 0 0 0 0 -9.871700 -6.364000 15.239800 1XA 0 0.49210 0.49210 UNCH C6 10
24 10 3 0 0 0 0 0 0 0 0 0 0 -9.983600 -7.343600 15.853300 1XA 0 -0.55710 -0.55710 UNCH N3 11
15 6 2 0 0 0 0 0 0 0 0 0 0 -11.032300 -6.029600 12.743900 1XA 0 -0.57000 -0.57000 UNCH O2 12
43 7 1 0 0 0 0 0 0 0 0 0 0 -9.242900 -1.007500 12.597700 1XA 0 0.40000 0.40000 UNCH H1 13
43 7 1 0 0 0 0 0 0 0 0 0 0 -10.251500 -1.814300 11.482400 1XA 0 0.40000 0.40000 UNCH H2 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.730000 -2.477700 17.369101 1XA 0 0.00000 0.00000 UNCH H3 15
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.604600 -2.563300 15.603600 1XA 0 0.00000 0.00000 UNCH H4 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.971000 -1.702000 16.371000 1XA 0 0.00000 0.00000 UNCH H5 17
17 [DOXXAP,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 8 1 7 2 2 1 0 0 0 0 0 0 -8.363000 -1.680000 13.814300 1XA 0 0.90600 0.90600 DOXX C1 1
3 1 1 11 1 4 1 3 1 0 0 0 0 -8.382100 -3.167200 14.229500 1XA 0 0.39700 0.39700 DOXX C2 2
3 2 1 13 1 12 1 5 1 0 0 0 0 -9.287800 -3.821500 13.197200 1XA 0 0.09900 0.09900 DOXX C3 3
32 2 1 16 1 15 1 14 1 0 0 0 0 -8.966700 -3.297400 15.627700 1XA 0 -0.85300 -0.85300 DOXX N1 4
31 3 1 9 1 6 2 0 0 0 0 0 0 -9.293700 -5.260400 13.493600 1XA 0 0.74100 0.74100 DOXX N2 5
25 5 2 10 1 0 0 0 0 0 0 0 0 -8.851200 -6.019100 12.569300 1XA 0 -0.27000 -0.27000 DOXX N3 6
15 1 2 0 0 0 0 0 0 0 0 0 0 -9.039700 -0.988600 14.639900 1XA 0 -0.90000 -0.90000 DOXX O1 7
18 1 1 0 0 0 0 0 0 0 0 0 0 -7.717300 -1.389100 12.785500 1XA 0 -0.90000 -0.90000 DOXX O2 8
18 5 1 0 0 0 0 0 0 0 0 0 0 -9.720700 -5.617900 14.650900 1XA 0 -0.63300 -0.63300 DOXX O3 9
16 6 1 17 1 0 0 0 0 0 0 0 0 -8.894000 -7.355000 13.004600 1XA 0 -0.33700 -0.33700 DOXX O4 10
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.378900 -3.603100 14.263600 1XA 0 0.00000 0.00000 DOXX H1 11
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.930600 -3.670100 12.172100 1XA 0 0.00000 0.00000 DOXX H2 12
41 3 1 0 0 0 0 0 0 0 0 0 0 -10.324400 -3.470100 13.259000 1XA 0 0.00000 0.00000 DOXX H3 13
44 4 1 0 0 0 0 0 0 0 0 0 0 -9.566800 -2.446200 15.707700 1XA 0 0.45000 0.45000 DOXX H4 14
44 4 1 0 0 0 0 0 0 0 0 0 0 -9.506000 -4.168800 15.756800 1XA 0 0.45000 0.45000 DOXX H5 15
44 4 1 0 0 0 0 0 0 0 0 0 0 -8.247600 -3.179000 16.343399 1XA 0 0.45000 0.45000 DOXX H6 16
42 10 1 0 0 0 0 0 0 0 0 0 0 -8.583700 -7.844100 12.221200 1XA 0 0.40000 0.40000 DOXX H7 17
17 [DOXZOF,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 11 1 2 1 0 0 0 0 0 0 0 0 -11.308000 -2.570500 12.847700 1XA 0 -0.33700 -0.33700 DOXZ O1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -11.614100 -3.682200 13.640300 1XA 0 -0.51300 -0.51300 DOXZ N1 2
2 2 2 10 1 4 1 0 0 0 0 0 0 -10.546800 -4.152100 14.179200 1XA 0 0.31080 0.31080 DOXZ C1 3
3 3 1 13 1 12 1 5 1 0 0 0 0 -10.312500 -5.342900 15.123900 1XA 0 0.16100 0.16100 DOXZ C2 4
2 4 1 10 1 6 2 0 0 0 0 0 0 -8.871400 -4.897700 15.030900 1XA 0 -0.10800 -0.10800 DOXZ C21 5
2 5 2 14 1 7 1 0 0 0 0 0 0 -7.581300 -5.137300 15.432600 1XA 0 -0.15000 -0.15000 DOXZ C3 6
2 6 1 15 1 8 2 0 0 0 0 0 0 -6.591200 -4.272400 14.944000 1XA 0 -0.15000 -0.15000 DOXZ C4 7
2 7 2 16 1 9 1 0 0 0 0 0 0 -6.913300 -3.202000 14.075700 1XA 0 -0.15000 -0.15000 DOXZ C5 8
2 8 1 17 1 10 2 0 0 0 0 0 0 -8.232300 -2.975100 13.678800 1XA 0 -0.15000 -0.15000 DOXZ C6 9
2 3 1 5 1 9 2 0 0 0 0 0 0 -9.156200 -3.848200 14.184900 1XA 0 0.08620 0.08620 DOXZ C61 10
42 1 1 0 0 0 0 0 0 0 0 0 0 -12.184100 -2.314500 12.504100 1XA 0 0.40000 0.40000 DOXZ H1 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.798800 -5.240800 16.098200 1XA 0 0.00000 0.00000 DOXZ H2 12
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.558300 -6.314200 14.685500 1XA 0 0.00000 0.00000 DOXZ H2_ 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.334300 -5.957000 16.097500 1XA 0 0.15000 0.15000 DOXZ H3 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.553900 -4.425100 15.236600 1XA 0 0.15000 0.15000 DOXZ H4 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.121100 -2.549500 13.714800 1XA 0 0.15000 0.15000 DOXZ H5 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.510500 -2.165900 13.016500 1XA 0 0.15000 0.15000 DOXZ H6 17
20 [DOZFON,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
56 10 1 0 0 0 0 0 0 0 0 0 0 1.777100 -3.115900 3.363700 1XA 0 -0.34000 -0.34000 DOZF F1 1
56 10 1 0 0 0 0 0 0 0 0 0 0 1.891100 -3.977500 1.335500 1XA 0 -0.34000 -0.34000 DOZF F2 2
15 9 2 0 0 0 0 0 0 0 0 0 0 0.403800 -1.663000 0.445400 1XA 0 -0.57000 -0.57000 DOZF O1 3
18 8 1 0 0 0 0 0 0 0 0 0 0 4.072700 -2.673700 1.165800 1XA 0 -0.52000 -0.52000 DOZF O2 4
15 8 2 0 0 0 0 0 0 0 0 0 0 3.348000 -1.067000 2.486300 1XA 0 -0.52000 -0.52000 DOZF O3 5
25 20 1 9 1 7 1 0 0 0 0 0 0 0.430800 -0.901500 2.592100 1XA 0 -0.18300 -0.18300 DOZF N1 6
32 6 1 13 1 12 1 11 1 0 0 0 0 -0.339900 0.222700 2.108800 1XA 0 -0.70300 -0.70300 DOZF N2 7
31 4 1 5 2 10 1 0 0 0 0 0 0 3.211600 -2.149300 1.881500 1XA 0 0.79980 0.79980 DOZF N3 8
2 3 2 6 1 10 1 0 0 0 0 0 0 0.850500 -1.791200 1.587600 1XA 0 0.56900 0.56900 DOZF C1 9
3 1 1 2 1 8 1 9 1 0 0 0 0 1.869300 -2.820200 2.036800 1XA 0 0.98120 0.98120 DOZF C2 10
3 7 1 16 1 15 1 14 1 0 0 0 0 -1.603500 0.282400 2.907800 1XA 0 0.50300 0.50300 DOZF C3 11
3 7 1 19 1 18 1 17 1 0 0 0 0 0.518000 1.450800 2.174000 1XA 0 0.50300 0.50300 DOZF C4 12
44 7 1 0 0 0 0 0 0 0 0 0 0 -0.579300 0.031700 1.109600 1XA 0 0.45000 0.45000 DOZF H2 13
41 11 1 0 0 0 0 0 0 0 0 0 0 -2.201000 1.112200 2.521700 1XA 0 0.00000 0.00000 DOZF H31 14
41 11 1 0 0 0 0 0 0 0 0 0 0 -2.141400 -0.660000 2.770400 1XA 0 0.00000 0.00000 DOZF H32 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -1.351600 0.444400 3.959800 1XA 0 0.00000 0.00000 DOZF H33 16
41 12 1 0 0 0 0 0 0 0 0 0 0 0.797900 1.633500 3.215400 1XA 0 0.00000 0.00000 DOZF H41 17
41 12 1 0 0 0 0 0 0 0 0 0 0 1.400600 1.286500 1.549700 1XA 0 0.00000 0.00000 DOZF H42 18
41 12 1 0 0 0 0 0 0 0 0 0 0 -0.068200 2.284600 1.779400 1XA 0 0.00000 0.00000 DOZF H43 19
43 6 1 0 0 0 0 0 0 0 0 0 0 0.980200 -0.782700 3.451700 1XA 0 0.37000 0.37000 DOZF H1 20
15 [DOZNIP,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
18 5 1 0 0 0 0 0 0 0 0 0 0 -9.253800 -3.730900 18.286301 1XA 0 -0.52000 -0.52000 DOZN O1 1
15 5 2 0 0 0 0 0 0 0 0 0 0 -10.623800 -5.347500 17.669001 1XA 0 -0.52000 -0.52000 DOZN O2 2
18 11 1 0 0 0 0 0 0 0 0 0 0 -7.020700 -3.790800 11.088100 1XA 0 -0.52000 -0.52000 DOZN O3 3
15 11 2 0 0 0 0 0 0 0 0 0 0 -8.182200 -5.634600 11.434800 1XA 0 -0.52000 -0.52000 DOZN O4 4
31 1 1 2 2 6 1 0 0 0 0 0 0 -9.638100 -4.615700 17.514000 1XA 0 1.04400 1.04400 DOZN N1 5
25 5 1 15 1 12 1 0 0 0 0 0 0 -8.804100 -5.009600 16.545200 1XA 0 -0.50000 -0.50000 DOZN N2 6
25 12 2 8 1 0 0 0 0 0 0 0 0 -9.196100 -2.858700 15.379400 1XA 0 -0.65000 -0.65000 DOZN N3 7
25 7 1 13 2 0 0 0 0 0 0 0 0 -9.274500 -2.545900 14.054900 1XA 0 -0.65000 -0.65000 DOZN N4 8
201 13 1 12 1 0 0 0 0 0 0 0 0 -8.810500 -4.677500 14.222600 1XA 0 -0.96670 -0.96670 DOZN N5 9
25 14 1 13 1 11 1 0 0 0 0 0 0 -8.984400 -3.651900 11.988700 1XA 0 -0.50000 -0.50000 DOZN N6 10
31 3 1 4 2 10 1 0 0 0 0 0 0 -7.982400 -4.419700 11.546200 1XA 0 1.04400 1.04400 DOZN N7 11
2 6 1 7 2 9 1 0 0 0 0 0 0 -8.944900 -4.178600 15.459800 1XA 0 0.72930 0.72930 DOZN C1 12
2 8 2 9 1 10 1 0 0 0 0 0 0 -8.996700 -3.668700 13.363700 1XA 0 0.72930 0.72930 DOZN C2 13
43 10 1 0 0 0 0 0 0 0 0 0 0 -8.939100 -2.689800 11.698400 1XA 0 0.40000 0.40000 DOZN H1 14
43 6 1 0 0 0 0 0 0 0 0 0 0 -8.928600 -5.954200 16.226200 1XA 0 0.40000 0.40000 DOZN H2 15
22 [DUBNET,22,22,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 11 2 0 0 0 0 0 0 0 0 0 0 -8.065500 -5.060700 12.131900 1XA 0 -0.57000 -0.57000 UNCH O1 1
15 12 2 0 0 0 0 0 0 0 0 0 0 -7.845300 -2.033600 15.460100 1XA 0 -0.57000 -0.57000 UNCH O2 2
25 5 1 6 1 11 1 0 0 0 0 0 0 -9.749400 -4.024800 13.376900 1XA 0 -0.36010 -0.36010 UNCH N1 3
25 11 1 12 1 13 1 0 0 0 0 0 0 -7.693200 -3.140800 13.409000 1XA 0 -0.42010 -0.42010 UNCH N2 4
25 3 1 9 1 12 1 0 0 0 0 0 0 -9.679100 -3.059300 14.438500 1XA 0 -0.36010 -0.36010 UNCH N3 5
3 3 1 7 1 10 1 14 1 0 0 0 0 -10.560300 -5.136800 13.911700 1XA 0 0.43830 0.43830 UNCH C1 6
2 6 1 8 2 15 1 0 0 0 0 0 0 -9.768100 -5.778300 15.035100 1XA 0 -0.28820 -0.28820 UNCH C2 7
2 7 2 9 1 16 1 0 0 0 0 0 0 -9.702300 -4.874500 16.028900 1XA 0 -0.28820 -0.28820 UNCH C3 8
3 5 1 8 1 10 1 17 1 0 0 0 0 -10.451800 -3.644700 15.552300 1XA 0 0.43830 0.43830 UNCH C4 9
3 6 1 9 1 18 1 19 1 0 0 0 0 -11.567500 -4.348900 14.764200 1XA 0 0.00000 0.00000 UNCH C5 10
2 1 2 3 1 4 1 0 0 0 0 0 0 -8.459900 -4.152600 12.848700 1XA 0 0.69000 0.69000 UNCH C6 11
2 2 2 4 1 5 1 0 0 0 0 0 0 -8.349300 -2.631800 14.520900 1XA 0 0.69000 0.69000 UNCH C7 12
3 4 1 20 1 21 1 22 1 0 0 0 0 -6.264900 -3.078200 13.257600 1XA 0 0.30010 0.30010 UNCH C8 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.959600 -5.804200 13.148500 1XA 0 0.00000 0.00000 UNCH H1 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.301900 -6.750700 15.001200 1XA 0 0.15000 0.15000 UNCH H2 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.172000 -4.965500 16.964100 1XA 0 0.15000 0.15000 UNCH H3 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.750100 -2.925000 16.314100 1XA 0 0.00000 0.00000 UNCH H4 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -12.171600 -3.652200 14.170600 1XA 0 0.00000 0.00000 UNCH H51 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -12.225300 -4.976200 15.378200 1XA 0 0.00000 0.00000 UNCH H52 19
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.808900 -3.829000 13.910400 1XA 0 0.00000 0.00000 UNCH H81 20
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.991200 -3.293500 12.221200 1XA 0 0.00000 0.00000 UNCH H82 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.903500 -2.087700 13.547000 1XA 0 0.00000 0.00000 UNCH H83 22
20 [DUDMUK,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
26 7 1 6 1 2 1 0 0 0 0 0 0 -1.795100 0.504300 9.412600 1XA 0 -0.48700 -0.48700 DUDM N1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -1.961800 0.627900 8.062100 1XA 0 -0.50300 -0.50300 DUDM N2 2
2 2 2 8 1 4 1 0 0 0 0 0 0 -2.676400 1.645500 7.678700 1XA 0 0.60000 0.60000 DUDM C3 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -3.244100 2.604000 8.490900 1XA 0 -0.21100 -0.21100 DUDM N4 4
25 4 2 6 1 0 0 0 0 0 0 0 0 -2.880600 2.680700 9.687500 1XA 0 -0.24600 -0.24600 DUDM N5 5
3 1 1 5 1 20 1 9 1 0 0 0 0 -1.842300 1.751500 10.191800 1XA 0 0.51600 0.51600 DUDM C6 6
3 1 1 12 1 11 1 10 1 0 0 0 0 -0.700300 -0.373100 9.811000 1XA 0 0.55000 0.55000 DUDM C7 7
3 3 1 15 1 14 1 13 1 0 0 0 0 -2.942100 1.843400 6.212300 1XA 0 0.06100 0.06100 DUDM C8 8
3 6 1 18 1 17 1 16 1 0 0 0 0 -2.177800 1.519200 11.667900 1XA 0 0.00000 0.00000 DUDM C9 9
16 7 1 19 1 0 0 0 0 0 0 0 0 0.517200 0.111800 9.277200 1XA 0 -0.68000 -0.68000 DUDM O10 10
41 7 1 0 0 0 0 0 0 0 0 0 0 -0.596900 -0.497800 10.891400 1XA 0 0.00000 0.00000 DUDM H71 11
41 7 1 0 0 0 0 0 0 0 0 0 0 -0.868500 -1.376100 9.402100 1XA 0 0.00000 0.00000 DUDM H72 12
41 8 1 0 0 0 0 0 0 0 0 0 0 -2.549400 2.815100 5.899500 1XA 0 0.00000 0.00000 DUDM H81 13
41 8 1 0 0 0 0 0 0 0 0 0 0 -2.463200 1.056900 5.622800 1XA 0 0.00000 0.00000 DUDM H82 14
41 8 1 0 0 0 0 0 0 0 0 0 0 -4.020600 1.820300 6.031900 1XA 0 0.00000 0.00000 DUDM H83 15
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.378600 0.994500 12.198500 1XA 0 0.00000 0.00000 DUDM H91 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -2.330500 2.475500 12.182000 1XA 0 0.00000 0.00000 DUDM H92 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -3.103200 0.942100 11.777100 1XA 0 0.00000 0.00000 DUDM H93 18
42 10 1 0 0 0 0 0 0 0 0 0 0 0.242100 0.386200 8.382200 1XA 0 0.40000 0.40000 DUDM H10 19
41 6 1 0 0 0 0 0 0 0 0 0 0 -0.881700 2.277600 10.120800 1XA 0 0.00000 0.00000 DUDM H1 20
17 [DUGMUN,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 2 1 12 1 0 0 0 0 0 0 0 0 1.969900 1.920900 9.728300 1XA 0 -0.33700 -0.33700 DUGM O1 1
25 1 1 4 2 0 0 0 0 0 0 0 0 0.705500 2.008300 9.129900 1XA 0 -0.51300 -0.51300 DUGM N1 2
24 5 3 0 0 0 0 0 0 0 0 0 0 0.759400 -0.860000 11.056600 1XA 0 -0.55710 -0.55710 DUGM N2 3
2 2 2 5 1 6 1 0 0 0 0 0 0 -0.083600 1.020400 9.448200 1XA 0 0.46880 0.46880 DUGM C1 4
1 3 3 4 1 0 0 0 0 0 0 0 0 0.416000 -0.007000 10.343700 1XA 0 0.45210 0.45210 DUGM C2 5
2 4 1 7 2 11 1 0 0 0 0 0 0 -1.470300 0.912300 8.927200 1XA 0 0.08620 0.08620 DUGM C3 6
2 6 2 8 1 13 1 0 0 0 0 0 0 -1.947900 1.908500 8.061900 1XA 0 -0.15000 -0.15000 DUGM C4 7
2 7 1 9 2 14 1 0 0 0 0 0 0 -3.246300 1.840500 7.552000 1XA 0 -0.15000 -0.15000 DUGM C5 8
2 8 2 10 1 15 1 0 0 0 0 0 0 -4.077600 0.778700 7.901400 1XA 0 -0.15000 -0.15000 DUGM C6 9
2 9 1 11 2 16 1 0 0 0 0 0 0 -3.613500 -0.216100 8.760000 1XA 0 -0.15000 -0.15000 DUGM C7 10
2 6 1 10 2 17 1 0 0 0 0 0 0 -2.314800 -0.153000 9.273300 1XA 0 -0.15000 -0.15000 DUGM C8 11
42 1 1 0 0 0 0 0 0 0 0 0 0 2.424800 2.717500 9.394100 1XA 0 0.40000 0.40000 DUGM H1 12
41 7 1 0 0 0 0 0 0 0 0 0 0 -1.315000 2.746600 7.776200 1XA 0 0.15000 0.15000 DUGM H4 13
41 8 1 0 0 0 0 0 0 0 0 0 0 -3.608000 2.617000 6.882000 1XA 0 0.15000 0.15000 DUGM H5 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -5.088700 0.726100 7.504100 1XA 0 0.15000 0.15000 DUGM H6 15
41 10 1 0 0 0 0 0 0 0 0 0 0 -4.264600 -1.044400 9.031400 1XA 0 0.15000 0.15000 DUGM H7 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -1.992000 -0.949700 9.940000 1XA 0 0.15000 0.15000 DUGM H8 17
19 [DUGWIL01,19,19,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 2 4 2 7 1 8 1 0 0 0 0 -0.868800 0.186900 9.898100 1XA 0 1.33280 1.33280 UNCH S1 1
49 5 2 6 2 7 1 9 1 0 0 0 0 -0.742000 1.316900 7.234900 1XA 0 1.33280 1.33280 UNCH S2 2
15 1 2 0 0 0 0 0 0 0 0 0 0 0.448600 -0.340000 9.616800 1XA 0 -0.65000 -0.65000 UNCH O1 3
15 1 2 0 0 0 0 0 0 0 0 0 0 -1.803500 -0.610300 10.668800 1XA 0 -0.65000 -0.65000 UNCH O2 4
15 2 2 0 0 0 0 0 0 0 0 0 0 -0.017900 2.442100 7.785900 1XA 0 -0.65000 -0.65000 UNCH O3 5
15 2 2 0 0 0 0 0 0 0 0 0 0 -1.651400 1.528800 6.123900 1XA 0 -0.65000 -0.65000 UNCH O4 6
25 1 1 2 1 10 1 0 0 0 0 0 0 -1.620200 0.598100 8.462800 1XA 0 -0.63170 -0.63170 UNCH N1 7
3 1 1 11 1 12 1 13 1 0 0 0 0 -0.677100 1.742800 10.751500 1XA 0 0.10520 0.10520 UNCH C1 8
3 2 1 14 1 15 1 16 1 0 0 0 0 0.414400 0.064000 6.709700 1XA 0 0.10520 0.10520 UNCH C2 9
3 7 1 17 1 18 1 19 1 0 0 0 0 -3.014400 1.061900 8.563500 1XA 0 0.35570 0.35570 UNCH C3 10
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.324100 1.519300 11.761500 1XA 0 0.00000 0.00000 UNCH H1 11
41 8 1 0 0 0 0 0 0 0 0 0 0 0.063700 2.359900 10.246100 1XA 0 0.00000 0.00000 UNCH H2 12
41 8 1 0 0 0 0 0 0 0 0 0 0 -1.643500 2.245200 10.811200 1XA 0 0.00000 0.00000 UNCH H3 13
41 9 1 0 0 0 0 0 0 0 0 0 0 0.781700 0.352100 5.721200 1XA 0 0.00000 0.00000 UNCH H4 14
41 9 1 0 0 0 0 0 0 0 0 0 0 1.259000 0.016000 7.394600 1XA 0 0.00000 0.00000 UNCH H5 15
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.106000 -0.892400 6.635700 1XA 0 0.00000 0.00000 UNCH H6 16
41 10 1 0 0 0 0 0 0 0 0 0 0 -3.534100 0.624600 9.420500 1XA 0 0.00000 0.00000 UNCH H7 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -3.058100 2.150900 8.661000 1XA 0 0.00000 0.00000 UNCH H8 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -3.577800 0.748400 7.678900 1XA 0 0.00000 0.00000 UNCH H9 19
18 [DUJHEV,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 2 3 2 5 1 6 1 0 0 0 0 -2.080600 3.512600 8.737900 1XA 0 1.33400 1.33400 UNCH S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -1.968000 4.260100 9.975900 1XA 0 -0.65000 -0.65000 UNCH O1 2
15 1 2 0 0 0 0 0 0 0 0 0 0 -2.819700 4.073400 7.622900 1XA 0 -0.65000 -0.65000 UNCH O2 3
2 5 2 8 1 12 1 0 0 0 0 0 0 -0.077800 1.875700 8.142900 1XA 0 -0.04100 -0.04100 UNCH C1 4
2 1 1 4 2 13 1 0 0 0 0 0 0 -0.501300 3.140500 8.195800 1XA 0 -0.16700 -0.16700 UNCH C2 5
2 1 1 7 2 14 1 0 0 0 0 0 0 -2.768700 1.987700 9.108000 1XA 0 -0.16700 -0.16700 UNCH C3 6
2 6 2 8 1 15 1 0 0 0 0 0 0 -2.072800 0.858800 8.945800 1XA 0 -0.04100 -0.04100 UNCH C4 7
25 4 1 7 1 9 1 0 0 0 0 0 0 -0.771200 0.719800 8.485700 1XA 0 -0.27800 -0.27800 UNCH N1 8
2 8 1 10 1 11 2 0 0 0 0 0 0 -0.109900 -0.520600 8.344800 1XA 0 0.56900 0.56900 UNCH C5 9
3 9 1 16 1 17 1 18 1 0 0 0 0 -0.875200 -1.768100 8.720800 1XA 0 0.06100 0.06100 UNCH C6 10
15 9 2 0 0 0 0 0 0 0 0 0 0 1.049300 -0.626000 7.933500 1XA 0 -0.57000 -0.57000 UNCH O3 11
41 4 1 0 0 0 0 0 0 0 0 0 0 0.940200 1.709700 7.787600 1XA 0 0.15000 0.15000 UNCH H1 12
41 5 1 0 0 0 0 0 0 0 0 0 0 0.127900 3.968000 7.902400 1XA 0 0.15000 0.15000 UNCH H2 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -3.784600 1.989100 9.475600 1XA 0 0.15000 0.15000 UNCH H3 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -2.592300 -0.058700 9.206600 1XA 0 0.15000 0.15000 UNCH H4 15
41 10 1 0 0 0 0 0 0 0 0 0 0 -1.760700 -1.876800 8.089100 1XA 0 0.00000 0.00000 UNCH H61 16
41 10 1 0 0 0 0 0 0 0 0 0 0 -0.237700 -2.643400 8.559500 1XA 0 0.00000 0.00000 UNCH H62 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -1.149100 -1.742700 9.778700 1XA 0 0.00000 0.00000 UNCH H63 18
35 [DUJMEA,35,35,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 2 1 7 1 11 1 13 1 0 0 0 0 -1.814300 0.483000 7.945500 1XA 0 0.73000 0.73000 UNCH C1 1
16 1 1 3 1 0 0 0 0 0 0 0 0 -1.415100 -0.634000 7.108300 1XA 0 -0.56000 -0.56000 UNCH O1 2
3 2 1 4 1 22 1 23 1 0 0 0 0 0.001900 -0.824800 7.018900 1XA 0 0.28000 0.28000 UNCH C2 3
3 3 1 5 1 24 1 25 1 0 0 0 0 0.773700 0.432200 6.602800 1XA 0 0.27000 0.27000 UNCH C3 4
26 4 1 6 1 7 1 0 0 0 0 0 0 0.524900 1.525100 7.550800 1XA 0 -0.81000 -0.81000 UNCH N1 5
3 5 1 26 1 27 1 28 1 0 0 0 0 1.296100 2.714800 7.210000 1XA 0 0.27000 0.27000 UNCH C100 6
3 1 1 5 1 8 1 18 1 0 0 0 0 -0.933300 1.802300 7.571600 1XA 0 0.55000 0.55000 UNCH C4 7
16 7 1 9 1 0 0 0 0 0 0 0 0 -1.316200 2.361900 6.294000 1XA 0 -0.56000 -0.56000 UNCH O2 8
3 8 1 10 1 29 1 30 1 0 0 0 0 -2.713900 2.632100 6.255500 1XA 0 0.28000 0.28000 UNCH C5 9
3 9 1 11 1 31 1 32 1 0 0 0 0 -3.513100 1.341600 6.424700 1XA 0 0.27000 0.27000 UNCH C6 10
26 1 1 10 1 12 1 0 0 0 0 0 0 -3.277800 0.741800 7.746700 1XA 0 -0.81000 -0.81000 UNCH N2 11
3 11 1 33 1 34 1 35 1 0 0 0 0 -4.101700 -0.458000 7.897100 1XA 0 0.27000 0.27000 UNCH C200 12
2 1 1 14 2 15 1 0 0 0 0 0 0 -1.579600 0.104300 9.404700 1XA 0 -0.04000 -0.04000 UNCH C7 13
2 13 2 17 1 19 1 0 0 0 0 0 0 -1.416100 -1.100700 10.068900 1XA 0 -0.15000 -0.15000 UNCH C8 14
16 13 1 16 1 0 0 0 0 0 0 0 0 -1.561100 1.124700 10.320800 1XA 0 -0.28000 -0.28000 UNCH O3 15
2 15 1 17 2 20 1 0 0 0 0 0 0 -1.361300 0.569800 11.542000 1XA 0 -0.01000 -0.01000 UNCH C9 16
2 14 1 16 2 21 1 0 0 0 0 0 0 -1.265500 -0.796800 11.442000 1XA 0 -0.15000 -0.15000 UNCH C10 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -1.124600 2.575700 8.328200 1XA 0 0.00000 0.00000 UNCH H4 18
41 14 1 0 0 0 0 0 0 0 0 0 0 -1.413400 -2.077000 9.604700 1XA 0 0.15000 0.15000 UNCH H8 19
41 16 1 0 0 0 0 0 0 0 0 0 0 -1.316000 1.265400 12.368100 1XA 0 0.15000 0.15000 UNCH H9 20
41 17 1 0 0 0 0 0 0 0 0 0 0 -1.114400 -1.487400 12.259200 1XA 0 0.15000 0.15000 UNCH H10 21
41 3 1 0 0 0 0 0 0 0 0 0 0 0.386300 -1.214900 7.967200 1XA 0 0.00000 0.00000 UNCH H21 22
41 3 1 0 0 0 0 0 0 0 0 0 0 0.168300 -1.609000 6.272500 1XA 0 0.00000 0.00000 UNCH H22 23
41 4 1 0 0 0 0 0 0 0 0 0 0 1.842900 0.189700 6.584600 1XA 0 0.00000 0.00000 UNCH H31 24
41 4 1 0 0 0 0 0 0 0 0 0 0 0.483900 0.718700 5.583900 1XA 0 0.00000 0.00000 UNCH H32 25
41 6 1 0 0 0 0 0 0 0 0 0 0 2.368400 2.503900 7.290100 1XA 0 0.00000 0.00000 UNCH H11 26
41 6 1 0 0 0 0 0 0 0 0 0 0 1.101100 3.077600 6.194700 1XA 0 0.00000 0.00000 UNCH H12 27
41 6 1 0 0 0 0 0 0 0 0 0 0 1.084400 3.526900 7.914300 1XA 0 0.00000 0.00000 UNCH H13 28
41 9 1 0 0 0 0 0 0 0 0 0 0 -2.935600 3.075800 5.279600 1XA 0 0.00000 0.00000 UNCH H51 29
41 9 1 0 0 0 0 0 0 0 0 0 0 -2.971500 3.374200 7.020800 1XA 0 0.00000 0.00000 UNCH H52 30
41 10 1 0 0 0 0 0 0 0 0 0 0 -3.242000 0.636500 5.628300 1XA 0 0.00000 0.00000 UNCH H61 31
41 10 1 0 0 0 0 0 0 0 0 0 0 -4.576800 1.582600 6.311900 1XA 0 0.00000 0.00000 UNCH H62 32
41 12 1 0 0 0 0 0 0 0 0 0 0 -3.853600 -1.239900 7.170800 1XA 0 0.00000 0.00000 UNCH H21_ 33
41 12 1 0 0 0 0 0 0 0 0 0 0 -5.160400 -0.205700 7.763200 1XA 0 0.00000 0.00000 UNCH H22_ 34
41 12 1 0 0 0 0 0 0 0 0 0 0 -4.027200 -0.880200 8.903500 1XA 0 0.00000 0.00000 UNCH H23_ 35
12 [DUKVAG,12,12,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 7 1 6 1 0 0 0 0 0 0 0 0 -0.942100 1.498400 9.437100 1XA 0 -0.13300 -0.13300 DUKV S1 1
31 8 1 6 2 3 1 0 0 0 0 0 0 -1.985500 -0.405400 8.171300 1XA 0 -0.39700 -0.39700 DUKV N1 2
25 2 1 7 2 0 0 0 0 0 0 0 0 -2.386700 0.702300 7.446700 1XA 0 -0.29110 -0.29110 DUKV N2 3
25 10 1 9 1 6 1 0 0 0 0 0 0 -0.731400 -1.115300 10.045700 1XA 0 -0.73200 -0.73200 DUKV N3 4
25 12 1 11 1 7 1 0 0 0 0 0 0 -2.066300 3.030400 7.550100 1XA 0 -0.88400 -0.88400 DUKV N4 5
2 1 1 2 2 4 1 0 0 0 0 0 0 -1.217700 -0.190800 9.241000 1XA 0 0.82500 0.82500 DUKV C1 6
2 1 1 3 2 5 1 0 0 0 0 0 0 -1.888300 1.783700 8.009400 1XA 0 0.46210 0.46210 DUKV C2 7
44 2 1 0 0 0 0 0 0 0 0 0 0 -2.254600 -1.350700 7.905100 1XA 0 0.45000 0.45000 DUKV H1 8
43 4 1 0 0 0 0 0 0 0 0 0 0 -0.159700 -0.797100 10.818800 1XA 0 0.45000 0.45000 DUKV H31 9
43 4 1 0 0 0 0 0 0 0 0 0 0 -0.918800 -2.094100 9.886700 1XA 0 0.45000 0.45000 DUKV H32 10
43 5 1 0 0 0 0 0 0 0 0 0 0 -1.869000 3.836200 8.135600 1XA 0 0.40000 0.40000 DUKV H41 11
43 5 1 0 0 0 0 0 0 0 0 0 0 -2.775100 3.199800 6.841000 1XA 0 0.40000 0.40000 DUKV H42 12
28 [DUKWUB,28,28,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 4 2 5 1 6 2 15 1 0 0 0 0 2.178100 0.520900 5.944500 1XA 0 1.37850 1.37850 DUKV S1 1
16 14 1 27 1 0 0 0 0 0 0 0 0 0.654500 -0.213700 10.202500 1XA 0 -0.68000 -0.68000 DUKV O51 2
16 10 1 14 1 0 0 0 0 0 0 0 0 1.602000 -1.451900 8.476100 1XA 0 -0.56000 -0.56000 DUKV O1 3
15 1 2 0 0 0 0 0 0 0 0 0 0 2.484400 1.874300 6.350300 1XA 0 -0.65000 -0.65000 DUKV O11 4
16 1 1 28 1 0 0 0 0 0 0 0 0 2.893200 0.339100 4.507200 1XA 0 -0.68370 -0.68370 DUKV O12 5
15 1 2 0 0 0 0 0 0 0 0 0 0 0.822000 0.039700 5.822600 1XA 0 -0.65000 -0.65000 DUKV O13 6
16 11 1 25 1 0 0 0 0 0 0 0 0 5.074200 -0.373800 9.109100 1XA 0 -0.68000 -0.68000 DUKV O21 7
16 12 1 26 1 0 0 0 0 0 0 0 0 4.476200 -1.817900 11.470100 1XA 0 -0.68000 -0.68000 DUKV O31 8
26 13 1 16 1 17 1 0 0 0 0 0 0 1.714800 -2.034800 12.218300 1XA 0 -0.99000 -0.99000 DUKV N1 9
3 3 1 11 1 15 1 20 1 0 0 0 0 2.773000 -0.632400 8.330800 1XA 0 0.28000 0.28000 DUKV C1 10
3 7 1 10 1 12 1 22 1 0 0 0 0 3.902400 -1.185300 9.209900 1XA 0 0.28000 0.28000 DUKV C2 11
3 8 1 11 1 13 1 23 1 0 0 0 0 3.438600 -1.229400 10.668400 1XA 0 0.28000 0.28000 DUKV C3 12
3 9 1 12 1 14 1 21 1 0 0 0 0 2.144600 -2.049300 10.797300 1XA 0 0.27000 0.27000 DUKV C4 13
3 2 1 3 1 13 1 24 1 0 0 0 0 1.090300 -1.503200 9.801500 1XA 0 0.56000 0.56000 DUKV C5 14
3 1 1 10 1 18 1 19 1 0 0 0 0 3.182500 -0.634900 6.862300 1XA 0 0.10520 0.10520 DUKV C11 15
43 9 1 0 0 0 0 0 0 0 0 0 0 1.379200 -1.085300 12.419200 1XA 0 0.36000 0.36000 DUKV H11 16
43 9 1 0 0 0 0 0 0 0 0 0 0 0.881400 -2.617800 12.314100 1XA 0 0.36000 0.36000 DUKV H12 17
41 15 1 0 0 0 0 0 0 0 0 0 0 4.216400 -0.304200 6.723700 1XA 0 0.00000 0.00000 DUKV H112 18
41 15 1 0 0 0 0 0 0 0 0 0 0 3.041900 -1.618900 6.403900 1XA 0 0.00000 0.00000 DUKV H111 19
41 10 1 0 0 0 0 0 0 0 0 0 0 2.541900 0.395400 8.639000 1XA 0 0.00000 0.00000 DUKV H1 20
41 13 1 0 0 0 0 0 0 0 0 0 0 2.374500 -3.090300 10.536500 1XA 0 0.00000 0.00000 DUKV H4 21
41 11 1 0 0 0 0 0 0 0 0 0 0 4.181000 -2.196400 8.886900 1XA 0 0.00000 0.00000 DUKV H2 22
41 12 1 0 0 0 0 0 0 0 0 0 0 3.303000 -0.207100 11.044800 1XA 0 0.00000 0.00000 DUKV H3 23
41 14 1 0 0 0 0 0 0 0 0 0 0 0.219100 -2.167700 9.802200 1XA 0 0.00000 0.00000 DUKV H5 24
42 7 1 0 0 0 0 0 0 0 0 0 0 5.635900 -0.645300 9.865200 1XA 0 0.40000 0.40000 DUKV H21 25
42 8 1 0 0 0 0 0 0 0 0 0 0 4.025600 -2.052700 12.309200 1XA 0 0.40000 0.40000 DUKV H31 26
42 2 1 0 0 0 0 0 0 0 0 0 0 -0.118300 -0.023200 9.640400 1XA 0 0.40000 0.40000 DUKV H51 27
42 5 1 0 0 0 0 0 0 0 0 0 0 3.227100 1.218200 4.225400 1XA 0 0.50000 0.50000 DUKV H120 28
24 [DULTIN,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
58 3 1 0 0 0 0 0 0 0 0 0 0 -2.744500 0.733900 5.623900 1XA 0 -0.23000 -0.23000 DUKZ BR1 1
3 3 1 9 1 10 1 11 1 0 0 0 0 -1.117200 1.044300 8.004700 1XA 0 0.25790 0.25790 DUKZ C1 2
3 1 1 2 1 4 1 13 1 0 0 0 0 -1.994000 0.029800 7.289600 1XA 0 0.23000 0.23000 DUKZ C2 3
3 3 1 5 1 14 1 15 1 0 0 0 0 -3.119900 -0.231900 8.282200 1XA 0 0.27000 0.27000 DUKZ C3 4
26 4 1 6 1 9 1 0 0 0 0 0 0 -3.347500 1.046300 8.995900 1XA 0 -0.74960 -0.74960 DUKZ N1 5
3 5 1 7 1 16 1 17 1 0 0 0 0 -3.519600 0.841300 10.440500 1XA 0 0.27000 0.27000 DUKZ C5 6
3 6 1 8 1 18 1 19 1 0 0 0 0 -2.125400 0.620700 11.018200 1XA 0 0.00000 0.00000 DUKZ C6 7
3 7 1 9 1 11 1 20 1 0 0 0 0 -1.211900 1.364900 10.065900 1XA 0 0.25790 0.25790 DUKZ C7 8
3 2 1 5 1 8 1 21 1 0 0 0 0 -2.082500 1.827800 8.895800 1XA 0 0.20960 0.20960 DUKZ C8 9
3 2 1 12 1 22 1 23 1 0 0 0 0 -0.085200 1.789900 7.167200 1XA 0 0.28000 0.28000 DUKZ C9 10
16 2 1 8 1 0 0 0 0 0 0 0 0 -0.463900 0.459200 9.192600 1XA 0 -0.51580 -0.51580 DUKZ O1 11
16 10 1 24 1 0 0 0 0 0 0 0 0 0.844900 2.471500 8.014400 1XA 0 -0.68000 -0.68000 DUKZ O2 12
41 3 1 0 0 0 0 0 0 0 0 0 0 -1.455000 -0.882300 7.017200 1XA 0 0.00000 0.00000 DUKZ H2 13
41 4 1 0 0 0 0 0 0 0 0 0 0 -2.800600 -1.028500 8.966500 1XA 0 0.00000 0.00000 DUKZ H3 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -4.047300 -0.573500 7.810300 1XA 0 0.00000 0.00000 DUKZ H31 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -4.207600 0.023400 10.680900 1XA 0 0.00000 0.00000 DUKZ H5 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -3.950900 1.755300 10.868100 1XA 0 0.00000 0.00000 DUKZ H51 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -1.874500 -0.444800 11.062800 1XA 0 0.00000 0.00000 DUKZ H6 18
41 7 1 0 0 0 0 0 0 0 0 0 0 -2.061500 1.025500 12.033400 1XA 0 0.00000 0.00000 DUKZ H61 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.554500 2.118700 10.509000 1XA 0 0.00000 0.00000 DUKZ H7 20
41 9 1 0 0 0 0 0 0 0 0 0 0 -2.183800 2.904200 8.745000 1XA 0 0.00000 0.00000 DUKZ H8 21
41 10 1 0 0 0 0 0 0 0 0 0 0 0.488500 1.098100 6.541900 1XA 0 0.00000 0.00000 DUKZ H9 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -0.548000 2.541000 6.521100 1XA 0 0.00000 0.00000 DUKZ H91 23
42 12 1 0 0 0 0 0 0 0 0 0 0 1.177700 1.795300 8.636500 1XA 0 0.40000 0.40000 DUKZ H21 24
26 [DUMHIC,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 2 1 12 1 0 0 0 0 0 0 0 0 8.673400 9.329200 1.188300 1XA 0 -0.56000 -0.56000 DULY O1 1
3 1 1 3 1 15 1 16 1 0 0 0 0 9.332500 9.312700 -0.080400 1XA 0 0.28000 0.28000 DULY C2 2
3 2 1 4 1 7 1 17 1 0 0 0 0 10.116600 8.033000 -0.338700 1XA 0 0.28000 0.28000 DULY C3 3
16 3 1 5 1 0 0 0 0 0 0 0 0 9.245100 6.952600 -0.678000 1XA 0 -0.43000 -0.43000 DULY O3 4
2 4 1 6 2 8 1 0 0 0 0 0 0 9.897300 5.834200 -0.278400 1XA 0 0.68000 0.68000 DULY C34 5
49 5 2 0 0 0 0 0 0 0 0 0 0 9.431000 4.318800 -0.687900 1XA 0 -0.38000 -0.38000 DULY S1 6
3 3 1 8 1 9 1 18 1 0 0 0 0 10.867200 7.486300 0.852700 1XA 0 0.28000 0.28000 DULY C4 7
16 5 1 7 1 0 0 0 0 0 0 0 0 10.967400 6.096800 0.512000 1XA 0 -0.43000 -0.43000 DULY O4 8
3 7 1 10 1 12 1 19 1 0 0 0 0 10.112200 7.652700 2.182500 1XA 0 0.28000 0.28000 DULY C5 9
16 9 1 11 1 0 0 0 0 0 0 0 0 10.942000 7.392500 3.330400 1XA 0 -0.56000 -0.56000 DULY O5 10
3 10 1 20 1 21 1 22 1 0 0 0 0 11.313900 6.029500 3.482600 1XA 0 0.28000 0.28000 DULY C51 11
3 1 1 9 1 13 1 23 1 0 0 0 0 9.574100 9.094100 2.272900 1XA 0 0.56000 0.56000 DULY C6 12
16 12 1 14 1 0 0 0 0 0 0 0 0 10.653400 10.034500 2.260600 1XA 0 -0.56000 -0.56000 DULY O6 13
3 13 1 24 1 25 1 26 1 0 0 0 0 10.244500 11.309500 2.739200 1XA 0 0.28000 0.28000 DULY C61 14
41 2 1 0 0 0 0 0 0 0 0 0 0 8.554100 9.434800 -0.841100 1XA 0 0.00000 0.00000 DULY H21 15
41 2 1 0 0 0 0 0 0 0 0 0 0 9.991800 10.185500 -0.146400 1XA 0 0.00000 0.00000 DULY H22 16
41 3 1 0 0 0 0 0 0 0 0 0 0 10.778900 8.178900 -1.201500 1XA 0 0.00000 0.00000 DULY H3 17
41 7 1 0 0 0 0 0 0 0 0 0 0 11.876700 7.905900 0.922900 1XA 0 0.00000 0.00000 DULY H4 18
41 9 1 0 0 0 0 0 0 0 0 0 0 9.256700 6.964800 2.219300 1XA 0 0.00000 0.00000 DULY H5 19
41 11 1 0 0 0 0 0 0 0 0 0 0 12.082600 5.757500 2.755200 1XA 0 0.00000 0.00000 DULY H511 20
41 11 1 0 0 0 0 0 0 0 0 0 0 10.445800 5.369700 3.392500 1XA 0 0.00000 0.00000 DULY H512 21
41 11 1 0 0 0 0 0 0 0 0 0 0 11.740600 5.904900 4.481800 1XA 0 0.00000 0.00000 DULY H513 22
41 12 1 0 0 0 0 0 0 0 0 0 0 9.017800 9.194700 3.213200 1XA 0 0.00000 0.00000 DULY H6 23
41 14 1 0 0 0 0 0 0 0 0 0 0 9.928900 11.243000 3.784800 1XA 0 0.00000 0.00000 DULY H611 24
41 14 1 0 0 0 0 0 0 0 0 0 0 9.435000 11.715200 2.125100 1XA 0 0.00000 0.00000 DULY H612 25
41 14 1 0 0 0 0 0 0 0 0 0 0 11.099800 11.987800 2.678400 1XA 0 0.00000 0.00000 DULY H613 26
30 [DUMPAC,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 2 1 4 1 0 0 0 0 0 0 0 0 3.890100 1.291400 3.435000 1XA 0 -0.51580 -0.51580 UNCH O1 1
3 1 1 3 1 17 1 18 1 0 0 0 0 3.519500 2.301800 2.461300 1XA 0 0.25790 0.25790 UNCH C2 2
3 2 1 4 1 5 1 6 1 0 0 0 0 3.498300 3.390500 3.571900 1XA 0 0.00000 0.00000 UNCH C3 3
3 1 1 3 1 19 1 20 1 0 0 0 0 4.338500 2.335100 4.342200 1XA 0 0.25790 0.25790 UNCH C4 4
3 3 1 7 1 21 1 22 1 0 0 0 0 4.122200 4.745000 3.192400 1XA 0 0.27000 0.27000 UNCH C5 5
3 3 1 12 1 23 1 24 1 0 0 0 0 2.045900 3.533600 4.103100 1XA 0 0.27000 0.27000 UNCH C6 6
26 5 1 8 1 9 1 0 0 0 0 0 0 5.461700 4.633400 2.592900 1XA 0 -0.53300 -0.53300 UNCH N7 7
3 7 1 25 1 26 1 27 1 0 0 0 0 6.516200 5.103300 3.487500 1XA 0 0.27000 0.27000 UNCH C8 8
31 7 1 10 1 11 2 0 0 0 0 0 0 5.570000 5.031700 1.274700 1XA 0 1.03300 1.03300 UNCH N9 9
18 9 1 0 0 0 0 0 0 0 0 0 0 4.588700 4.815000 0.558100 1XA 0 -0.52000 -0.52000 UNCH O10 10
15 9 2 0 0 0 0 0 0 0 0 0 0 6.640200 5.532500 0.923600 1XA 0 -0.52000 -0.52000 UNCH O11 11
26 6 1 13 1 14 1 0 0 0 0 0 0 1.829500 4.604900 5.103600 1XA 0 -0.53300 -0.53300 UNCH N12 12
3 12 1 28 1 29 1 30 1 0 0 0 0 0.405000 4.956400 5.142500 1XA 0 0.27000 0.27000 UNCH C13 13
31 12 1 15 1 16 2 0 0 0 0 0 0 2.361500 4.316400 6.344500 1XA 0 1.03300 1.03300 UNCH N14 14
18 14 1 0 0 0 0 0 0 0 0 0 0 1.579100 4.045900 7.257100 1XA 0 -0.52000 -0.52000 UNCH O15 15
15 14 2 0 0 0 0 0 0 0 0 0 0 3.590300 4.384100 6.412200 1XA 0 -0.52000 -0.52000 UNCH O16 16
41 2 1 0 0 0 0 0 0 0 0 0 0 4.287300 2.373100 1.685900 1XA 0 0.00000 0.00000 UNCH H21 17
41 2 1 0 0 0 0 0 0 0 0 0 0 2.562200 2.071900 1.983400 1XA 0 0.00000 0.00000 UNCH H22 18
41 4 1 0 0 0 0 0 0 0 0 0 0 4.038100 2.108700 5.367800 1XA 0 0.00000 0.00000 UNCH H41 19
41 4 1 0 0 0 0 0 0 0 0 0 0 5.427100 2.435500 4.304200 1XA 0 0.00000 0.00000 UNCH H42 20
41 5 1 0 0 0 0 0 0 0 0 0 0 3.423300 5.285500 2.538900 1XA 0 0.00000 0.00000 UNCH H51 21
41 5 1 0 0 0 0 0 0 0 0 0 0 4.183300 5.385000 4.081300 1XA 0 0.00000 0.00000 UNCH H52 22
41 6 1 0 0 0 0 0 0 0 0 0 0 1.671300 2.574100 4.487900 1XA 0 0.00000 0.00000 UNCH H61 23
41 6 1 0 0 0 0 0 0 0 0 0 0 1.423800 3.766500 3.226800 1XA 0 0.00000 0.00000 UNCH H62 24
41 8 1 0 0 0 0 0 0 0 0 0 0 6.508100 6.195100 3.587900 1XA 0 0.00000 0.00000 UNCH H81 25
41 8 1 0 0 0 0 0 0 0 0 0 0 6.401200 4.672800 4.489000 1XA 0 0.00000 0.00000 UNCH H82 26
41 8 1 0 0 0 0 0 0 0 0 0 0 7.507800 4.788900 3.141100 1XA 0 0.00000 0.00000 UNCH H83 27
41 13 1 0 0 0 0 0 0 0 0 0 0 -0.232100 4.107100 5.417900 1XA 0 0.00000 0.00000 UNCH H131 28
41 13 1 0 0 0 0 0 0 0 0 0 0 0.075700 5.323100 4.163100 1XA 0 0.00000 0.00000 UNCH H132 29
41 13 1 0 0 0 0 0 0 0 0 0 0 0.221000 5.777400 5.846300 1XA 0 0.00000 0.00000 UNCH H133 30
24 [DUPHEB,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 4 1 11 1 0 0 0 0 0 0 0 0 4.206100 3.185400 4.618400 1XA 0 -0.33100 -0.33100 UNCH S1 1
57 6 1 0 0 0 0 0 0 0 0 0 0 0.873600 0.006500 1.463100 1XA 0 -0.17700 -0.17700 UNCH CL1 2
2 4 2 12 1 16 1 0 0 0 0 0 0 5.316800 2.483700 2.367900 1XA 0 0.05440 0.05440 UNCH C1 3
2 1 1 3 2 13 1 0 0 0 0 0 0 4.246100 2.194200 3.134700 1XA 0 0.20100 0.20100 UNCH C2 4
2 6 2 10 1 13 1 0 0 0 0 0 0 2.566300 0.339200 3.589500 1XA 0 0.10000 0.10000 UNCH C3 5
2 2 1 5 2 7 1 0 0 0 0 0 0 1.428500 -0.319200 3.071600 1XA 0 0.17700 0.17700 UNCH C4 6
2 6 1 8 2 17 1 0 0 0 0 0 0 0.714800 -1.251900 3.830600 1XA 0 -0.15000 -0.15000 UNCH C5 7
2 7 2 9 1 18 1 0 0 0 0 0 0 1.119800 -1.543700 5.129900 1XA 0 -0.15000 -0.15000 UNCH C6 8
2 8 1 10 2 19 1 0 0 0 0 0 0 2.235100 -0.904600 5.663400 1XA 0 -0.15000 -0.15000 UNCH C7 9
2 5 1 9 2 20 1 0 0 0 0 0 0 2.947900 0.029200 4.901800 1XA 0 -0.15000 -0.15000 UNCH C8 10
3 1 1 21 1 22 1 23 1 0 0 0 0 2.503500 3.797300 4.540400 1XA 0 0.23000 0.23000 UNCH C9 11
31 3 1 14 1 15 2 0 0 0 0 0 0 5.547700 1.860800 1.091200 1XA 0 0.83560 0.83560 UNCH N1 12
25 4 1 5 1 24 1 0 0 0 0 0 0 3.228200 1.311000 2.795300 1XA 0 -0.60000 -0.60000 UNCH N2 13
18 12 1 0 0 0 0 0 0 0 0 0 0 4.678300 1.123000 0.607500 1XA 0 -0.52000 -0.52000 UNCH O1 14
15 12 2 0 0 0 0 0 0 0 0 0 0 6.626500 2.132400 0.550300 1XA 0 -0.52000 -0.52000 UNCH O2 15
41 3 1 0 0 0 0 0 0 0 0 0 0 6.111700 3.177700 2.597400 1XA 0 0.15000 0.15000 UNCH H1 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -0.156100 -1.750300 3.413200 1XA 0 0.15000 0.15000 UNCH H5 17
41 8 1 0 0 0 0 0 0 0 0 0 0 0.569000 -2.268600 5.724000 1XA 0 0.15000 0.15000 UNCH H6 18
41 9 1 0 0 0 0 0 0 0 0 0 0 2.558700 -1.132800 6.676600 1XA 0 0.15000 0.15000 UNCH H7 19
41 10 1 0 0 0 0 0 0 0 0 0 0 3.823800 0.483700 5.354000 1XA 0 0.15000 0.15000 UNCH H8 20
41 11 1 0 0 0 0 0 0 0 0 0 0 2.358600 4.544900 5.325000 1XA 0 0.00000 0.00000 UNCH H19 21
41 11 1 0 0 0 0 0 0 0 0 0 0 2.307800 4.269300 3.573500 1XA 0 0.00000 0.00000 UNCH H29 22
41 11 1 0 0 0 0 0 0 0 0 0 0 1.786100 2.989500 4.703000 1XA 0 0.00000 0.00000 UNCH H39 23
43 13 1 0 0 0 0 0 0 0 0 0 0 3.259500 0.995200 1.816600 1XA 0 0.40000 0.40000 UNCH H2 24
23 [DUPTAJ,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 6 1 5 1 2 1 0 0 0 0 0 0 1.428500 1.457000 3.634300 1XA 0 0.31720 0.31720 DUPT N1 1
2 1 1 15 1 3 2 0 0 0 0 0 0 0.422800 0.667800 3.139700 1XA 0 -0.30160 -0.30160 DUPT C2 2
2 2 2 16 1 4 1 0 0 0 0 0 0 -0.721500 0.974500 3.846900 1XA 0 -0.15000 -0.15000 DUPT C3 3
2 3 1 17 1 5 2 0 0 0 0 0 0 -0.375700 1.951400 4.817900 1XA 0 -0.15000 -0.15000 DUPT C4 4
2 1 1 4 2 18 1 0 0 0 0 0 0 0.971100 2.216900 4.679500 1XA 0 -0.30160 -0.30160 DUPT C5 5
49 1 1 9 1 8 2 7 2 0 0 0 0 3.065400 1.320600 3.188700 1XA 0 1.29500 1.29500 DUPT S6 6
15 6 2 0 0 0 0 0 0 0 0 0 0 3.683600 2.579200 3.561000 1XA 0 -0.65000 -0.65000 DUPT O7 7
15 6 2 0 0 0 0 0 0 0 0 0 0 3.064700 0.830800 1.823100 1XA 0 -0.65000 -0.65000 DUPT O8 8
2 6 1 14 1 10 2 0 0 0 0 0 0 3.671000 0.044400 4.257000 1XA 0 -0.00900 -0.00900 DUPT C9 9
2 9 2 19 1 11 1 0 0 0 0 0 0 3.622600 -1.288400 3.837300 1XA 0 -0.15000 -0.15000 DUPT C10 10
2 10 1 20 1 12 2 0 0 0 0 0 0 4.103700 -2.289700 4.680400 1XA 0 -0.15000 -0.15000 DUPT C11 11
2 11 2 21 1 13 1 0 0 0 0 0 0 4.635100 -1.957800 5.927900 1XA 0 -0.15000 -0.15000 DUPT C12 12
2 12 1 22 1 14 2 0 0 0 0 0 0 4.693200 -0.624100 6.336100 1XA 0 -0.15000 -0.15000 DUPT C13 13
2 9 1 13 2 23 1 0 0 0 0 0 0 4.214500 0.383900 5.499600 1XA 0 -0.15000 -0.15000 DUPT C14 14
41 2 1 0 0 0 0 0 0 0 0 0 0 0.597000 -0.025700 2.326700 1XA 0 0.15000 0.15000 DUPT H2 15
41 3 1 0 0 0 0 0 0 0 0 0 0 -1.699600 0.537000 3.687800 1XA 0 0.15000 0.15000 DUPT H3 16
41 4 1 0 0 0 0 0 0 0 0 0 0 -1.038400 2.405200 5.544800 1XA 0 0.15000 0.15000 DUPT H4 17
41 5 1 0 0 0 0 0 0 0 0 0 0 1.627600 2.886200 5.221100 1XA 0 0.15000 0.15000 DUPT H5 18
41 10 1 0 0 0 0 0 0 0 0 0 0 3.220600 -1.555400 2.862200 1XA 0 0.15000 0.15000 DUPT H10 19
41 11 1 0 0 0 0 0 0 0 0 0 0 4.070600 -3.329900 4.364400 1XA 0 0.15000 0.15000 DUPT H11 20
41 12 1 0 0 0 0 0 0 0 0 0 0 5.012400 -2.741100 6.581600 1XA 0 0.15000 0.15000 DUPT H12 21
41 13 1 0 0 0 0 0 0 0 0 0 0 5.117700 -0.371500 7.305100 1XA 0 0.15000 0.15000 DUPT H13 22
41 14 1 0 0 0 0 0 0 0 0 0 0 4.274200 1.421500 5.821300 1XA 0 0.15000 0.15000 DUPT H14 23
20 [DURDID,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 8 1 4 1 2 2 0 0 0 0 0 0 4.944300 -1.628600 8.408600 1XA 0 -0.17420 -0.17420 UNCH C1 1
2 1 2 11 1 3 1 0 0 0 0 0 0 5.143500 -2.438000 9.449100 1XA 0 -0.28820 -0.28820 UNCH C2 2
3 2 1 7 1 6 1 5 1 0 0 0 0 5.342600 -1.630900 10.698400 1XA 0 0.23720 0.23720 UNCH C3 3
3 1 1 14 1 13 1 12 1 0 0 0 0 4.699200 -1.847000 6.971000 1XA 0 0.13820 0.13820 UNCH C4 4
3 3 1 17 1 16 1 15 1 0 0 0 0 6.739700 -1.787000 11.285300 1XA 0 0.00000 0.00000 UNCH C5 5
3 3 1 20 1 19 1 18 1 0 0 0 0 4.233700 -1.843600 11.721100 1XA 0 0.00000 0.00000 UNCH C6 6
31 3 1 9 1 8 2 0 0 0 0 0 0 5.218500 -0.249200 10.164100 1XA 0 0.53400 0.53400 UNCH N1 7
31 1 1 7 2 10 1 0 0 0 0 0 0 4.994800 -0.265000 8.876300 1XA 0 0.66900 0.66900 UNCH N2 8
18 7 1 0 0 0 0 0 0 0 0 0 0 5.318100 0.807400 10.874500 1XA 0 -0.63300 -0.63300 UNCH O1 9
18 8 1 0 0 0 0 0 0 0 0 0 0 4.851500 0.799100 8.190200 1XA 0 -0.63300 -0.63300 UNCH O2 10
41 2 1 0 0 0 0 0 0 0 0 0 0 5.160800 -3.519000 9.408200 1XA 0 0.15000 0.15000 UNCH H21 11
41 4 1 0 0 0 0 0 0 0 0 0 0 4.682400 -2.916100 6.735400 1XA 0 0.00000 0.00000 UNCH H41 12
41 4 1 0 0 0 0 0 0 0 0 0 0 3.735100 -1.424200 6.671200 1XA 0 0.00000 0.00000 UNCH H42 13
41 4 1 0 0 0 0 0 0 0 0 0 0 5.486000 -1.384600 6.366600 1XA 0 0.00000 0.00000 UNCH H43 14
41 5 1 0 0 0 0 0 0 0 0 0 0 6.892900 -1.114300 12.136900 1XA 0 0.00000 0.00000 UNCH H51 15
41 5 1 0 0 0 0 0 0 0 0 0 0 7.518200 -1.558400 10.547500 1XA 0 0.00000 0.00000 UNCH H52 16
41 5 1 0 0 0 0 0 0 0 0 0 0 6.904500 -2.811800 11.636700 1XA 0 0.00000 0.00000 UNCH H53 17
41 6 1 0 0 0 0 0 0 0 0 0 0 4.347600 -1.171800 12.579600 1XA 0 0.00000 0.00000 UNCH H61 18
41 6 1 0 0 0 0 0 0 0 0 0 0 4.242300 -2.871900 12.099700 1XA 0 0.00000 0.00000 UNCH H62 19
41 6 1 0 0 0 0 0 0 0 0 0 0 3.242700 -1.654900 11.291100 1XA 0 0.00000 0.00000 UNCH H63 20
32 [DUTHIJ,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 13 1 6 1 2 2 0 0 0 0 0 0 6.586400 0.065900 12.816000 1XA 0 0.08250 0.08250 DUTH C2 1
2 1 2 18 1 3 1 0 0 0 0 0 0 6.534200 -1.156000 12.146200 1XA 0 -0.15000 -0.15000 DUTH C3 2
2 2 1 19 1 4 2 0 0 0 0 0 0 7.195500 -1.308400 10.926600 1XA 0 -0.15000 -0.15000 DUTH C4 3
2 3 2 20 1 5 1 0 0 0 0 0 0 7.907900 -0.240900 10.379500 1XA 0 -0.15000 -0.15000 DUTH C5 4
2 4 1 21 1 6 2 0 0 0 0 0 0 7.969300 0.978000 11.055700 1XA 0 -0.15000 -0.15000 DUTH C6 5
2 1 1 5 2 14 1 0 0 0 0 0 0 7.321300 1.126200 12.280000 1XA 0 0.08250 0.08250 DUTH C7 6
3 23 1 22 1 14 1 8 1 0 0 0 0 7.053100 2.281400 14.268400 1XA 0 0.28000 0.28000 DUTH C9 7
3 7 1 15 1 13 1 9 1 0 0 0 0 5.743400 1.497000 14.463700 1XA 0 0.66500 0.66500 DUTH C10 8
2 8 1 17 2 16 1 0 0 0 0 0 0 5.479700 1.437900 15.952200 1XA 0 0.60380 0.60380 DUTH C11 9
3 26 1 25 1 16 1 11 1 0 0 0 0 4.704500 2.030400 18.026600 1XA 0 0.48950 0.48950 DUTH C13 10
3 10 1 28 1 27 1 17 1 0 0 0 0 5.417100 0.666700 18.109501 1XA 0 0.48950 0.48950 DUTH C14 11
3 32 1 31 1 30 1 15 1 0 0 0 0 3.494500 1.453800 13.614700 1XA 0 0.28000 0.28000 DUTH C17 12
16 1 1 8 1 0 0 0 0 0 0 0 0 5.891200 0.146600 13.993600 1XA 0 -0.36250 -0.36250 DUTH O1 13
16 6 1 7 1 0 0 0 0 0 0 0 0 7.445100 2.342400 12.894700 1XA 0 -0.36250 -0.36250 DUTH O8 14
16 8 1 12 1 0 0 0 0 0 0 0 0 4.663900 2.230600 13.847800 1XA 0 -0.56000 -0.56000 DUTH O16 15
25 9 1 10 1 24 1 0 0 0 0 0 0 4.826400 2.385400 16.606199 1XA 0 -0.79390 -0.79390 DUTH N12 16
31 9 2 11 1 29 1 0 0 0 0 0 0 5.849200 0.428900 16.724400 1XA 0 -0.79390 -0.79390 DUTH N15 17
41 2 1 0 0 0 0 0 0 0 0 0 0 5.970200 -1.989100 12.556500 1XA 0 0.15000 0.15000 DUTH H3 18
41 3 1 0 0 0 0 0 0 0 0 0 0 7.150700 -2.257200 10.396000 1XA 0 0.15000 0.15000 DUTH H4 19
41 4 1 0 0 0 0 0 0 0 0 0 0 8.417200 -0.358400 9.425300 1XA 0 0.15000 0.15000 DUTH H5 20
41 5 1 0 0 0 0 0 0 0 0 0 0 8.529300 1.806600 10.629200 1XA 0 0.15000 0.15000 DUTH H6 21
41 7 1 0 0 0 0 0 0 0 0 0 0 6.935200 3.315500 14.611700 1XA 0 0.00000 0.00000 DUTH H91 22
41 7 1 0 0 0 0 0 0 0 0 0 0 7.877200 1.832000 14.838200 1XA 0 0.00000 0.00000 DUTH H92 23
43 16 1 0 0 0 0 0 0 0 0 0 0 4.457500 3.186300 16.096399 1XA 0 0.45000 0.45000 DUTH H12 24
41 10 1 0 0 0 0 0 0 0 0 0 0 5.199300 2.789600 18.638000 1XA 0 0.00000 0.00000 DUTH H131 25
41 10 1 0 0 0 0 0 0 0 0 0 0 3.647700 1.957100 18.296400 1XA 0 0.00000 0.00000 DUTH H132 26
41 11 1 0 0 0 0 0 0 0 0 0 0 6.291300 0.699900 18.764999 1XA 0 0.00000 0.00000 DUTH H141 27
41 11 1 0 0 0 0 0 0 0 0 0 0 4.739000 -0.131300 18.423300 1XA 0 0.00000 0.00000 DUTH H142 28
44 17 1 0 0 0 0 0 0 0 0 0 0 6.319900 -0.377900 16.320299 1XA 0 0.45000 0.45000 DUTH H15 29
41 12 1 0 0 0 0 0 0 0 0 0 0 3.162800 0.955100 14.530100 1XA 0 0.00000 0.00000 DUTH H171 30
41 12 1 0 0 0 0 0 0 0 0 0 0 3.669900 0.719300 12.824000 1XA 0 0.00000 0.00000 DUTH H172 31
41 12 1 0 0 0 0 0 0 0 0 0 0 2.701200 2.128200 13.280900 1XA 0 0.00000 0.00000 DUTH H173 32
23 [DUVHUX10,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 14 1 0 0 0 0 0 0 0 0 1.240000 0.960800 1.973700 1XA 0 -0.10100 -0.10100 UNCH S1 1
49 1 1 12 1 0 0 0 0 0 0 0 0 0.150700 -0.694200 2.405400 1XA 0 -0.14100 -0.14100 UNCH S2 2
49 12 2 0 0 0 0 0 0 0 0 0 0 1.054300 -3.441500 1.650200 1XA 0 -0.38000 -0.38000 UNCH S3 3
25 6 2 9 1 0 0 0 0 0 0 0 0 4.142000 2.732100 -2.270000 1XA 0 -0.62000 -0.62000 UNCH N1 4
25 7 2 8 1 0 0 0 0 0 0 0 0 3.813300 5.547200 -2.307100 1XA 0 -0.62000 -0.62000 UNCH N2 5
2 4 2 7 1 10 1 0 0 0 0 0 0 3.281700 3.356900 -1.427500 1XA 0 0.33840 0.33840 UNCH C1 6
2 5 2 6 1 16 1 0 0 0 0 0 0 3.129200 4.741800 -1.456000 1XA 0 0.16000 0.16000 UNCH C2 7
2 5 1 9 2 17 1 0 0 0 0 0 0 4.666100 4.909400 -3.137700 1XA 0 0.16000 0.16000 UNCH C3 8
2 4 1 8 2 18 1 0 0 0 0 0 0 4.826200 3.534800 -3.119100 1XA 0 0.16000 0.16000 UNCH C4 9
2 6 1 11 2 19 1 0 0 0 0 0 0 2.514100 2.528100 -0.485900 1XA 0 -0.17840 -0.17840 UNCH C5 10
2 10 2 14 1 20 1 0 0 0 0 0 0 2.632700 1.189900 -0.402100 1XA 0 -0.15000 -0.15000 UNCH C6 11
2 2 1 3 2 13 1 0 0 0 0 0 0 1.083600 -1.785100 1.391500 1XA 0 0.50660 0.50660 UNCH C7 12
2 12 1 14 2 15 1 0 0 0 0 0 0 1.824600 -1.038700 0.319800 1XA 0 -0.12380 -0.12380 UNCH C8 13
2 1 1 11 1 13 2 0 0 0 0 0 0 1.912600 0.298600 0.502900 1XA 0 0.10100 0.10100 UNCH C9 14
3 13 1 21 1 22 1 23 1 0 0 0 0 2.349000 -1.823100 -0.849200 1XA 0 0.13820 0.13820 UNCH C10 15
41 7 1 0 0 0 0 0 0 0 0 0 0 2.445500 5.255700 -0.788800 1XA 0 0.15000 0.15000 UNCH H2 16
41 8 1 0 0 0 0 0 0 0 0 0 0 5.222400 5.536900 -3.824700 1XA 0 0.15000 0.15000 UNCH H3 17
41 9 1 0 0 0 0 0 0 0 0 0 0 5.514900 3.036700 -3.792100 1XA 0 0.15000 0.15000 UNCH H4 18
41 10 1 0 0 0 0 0 0 0 0 0 0 1.820600 3.070700 0.148900 1XA 0 0.15000 0.15000 UNCH H5 19
41 11 1 0 0 0 0 0 0 0 0 0 0 3.341200 0.709500 -1.075300 1XA 0 0.15000 0.15000 UNCH H6 20
41 15 1 0 0 0 0 0 0 0 0 0 0 2.632700 -1.195000 -1.697500 1XA 0 0.00000 0.00000 UNCH H101 21
41 15 1 0 0 0 0 0 0 0 0 0 0 1.584500 -2.507700 -1.232300 1XA 0 0.00000 0.00000 UNCH H102 22
41 15 1 0 0 0 0 0 0 0 0 0 0 3.228400 -2.405500 -0.556000 1XA 0 0.00000 0.00000 UNCH H103 23
17 [DUVXIB,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 13 1 6 1 2 1 0 0 0 0 0 0 2.826600 1.440600 7.813800 1XA 0 -0.49000 -0.49000 DUVX N1 1
2 1 1 10 2 3 1 0 0 0 0 0 0 3.024800 1.889800 9.106500 1XA 0 0.69000 0.69000 DUVX C2 2
25 2 1 11 1 4 1 0 0 0 0 0 0 2.526800 1.103500 10.139100 1XA 0 -0.42310 -0.42310 DUVX N3 3
2 3 1 9 2 5 1 0 0 0 0 0 0 1.868400 -0.071000 9.817700 1XA 0 0.35180 0.35180 DUVX C4 4
2 4 1 7 2 6 1 0 0 0 0 0 0 1.685300 -0.496300 8.494700 1XA 0 0.20280 0.20280 DUVX C5 5
2 1 1 5 1 12 2 0 0 0 0 0 0 2.186200 0.289500 7.394000 1XA 0 0.71600 0.71600 DUVX C6 6
25 5 2 8 1 0 0 0 0 0 0 0 0 1.019600 -1.659600 8.474400 1XA 0 -0.70680 -0.70680 DUVX N7 7
25 7 1 17 1 9 1 0 0 0 0 0 0 0.838100 -1.870900 9.792200 1XA 0 0.56600 0.56600 DUVX N8 8
25 4 2 8 1 0 0 0 0 0 0 0 0 1.323100 -0.955400 10.656200 1XA 0 -0.70680 -0.70680 DUVX N9 9
15 2 2 0 0 0 0 0 0 0 0 0 0 3.624500 2.950000 9.279000 1XA 0 -0.57000 -0.57000 DUVX O2 10
3 3 1 16 1 15 1 14 1 0 0 0 0 2.695500 1.508600 11.522300 1XA 0 0.30010 0.30010 DUVX C3 11
15 6 2 0 0 0 0 0 0 0 0 0 0 2.078100 0.005700 6.205400 1XA 0 -0.57000 -0.57000 DUVX O6 12
43 1 1 0 0 0 0 0 0 0 0 0 0 3.197600 2.029400 7.083400 1XA 0 0.37000 0.37000 DUVX H1 13
41 11 1 0 0 0 0 0 0 0 0 0 0 3.261600 0.737900 12.054800 1XA 0 0.00000 0.00000 DUVX H13 14
41 11 1 0 0 0 0 0 0 0 0 0 0 3.234900 2.456100 11.602800 1XA 0 0.00000 0.00000 DUVX H23 15
41 11 1 0 0 0 0 0 0 0 0 0 0 1.710100 1.627100 11.983600 1XA 0 0.00000 0.00000 DUVX H33 16
43 8 1 0 0 0 0 0 0 0 0 0 0 0.348200 -2.698900 10.126000 1XA 0 0.27000 0.27000 DUVX H8 17
22 [DUWGAD,22,22,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 7 1 3 1 2 1 0 0 0 0 0 0 5.978200 5.221800 1.692100 1XA 0 0.67120 0.67120 DUWG P1 1
57 1 1 0 0 0 0 0 0 0 0 0 0 6.359600 3.158000 1.721100 1XA 0 -0.21120 -0.21120 DUWG CL1 2
26 1 1 5 1 4 1 0 0 0 0 0 0 7.483600 5.991700 1.583900 1XA 0 -0.65100 -0.65100 DUWG N1 3
3 3 1 12 1 11 1 10 1 0 0 0 0 7.713600 6.916600 0.484300 1XA 0 0.27000 0.27000 DUWG C11 4
3 3 1 14 1 13 1 6 1 0 0 0 0 8.055400 6.451900 2.840200 1XA 0 0.27000 0.27000 DUWG C2 5
3 5 1 16 1 15 1 7 1 0 0 0 0 7.403900 5.607500 3.923600 1XA 0 0.50300 0.50300 DUWG C3 6
32 1 1 6 1 9 1 8 1 0 0 0 0 5.940600 5.454200 3.511800 1XA 0 -0.85800 -0.85800 DUWG N4 7
3 7 1 19 1 18 1 17 1 0 0 0 0 5.143400 6.736800 3.772300 1XA 0 0.50300 0.50300 DUWG C41 8
3 7 1 22 1 21 1 20 1 0 0 0 0 5.258600 4.332900 4.274200 1XA 0 0.50300 0.50300 DUWG C42 9
41 4 1 0 0 0 0 0 0 0 0 0 0 8.772900 7.192400 0.425800 1XA 0 0.00000 0.00000 DUWG H111 10
41 4 1 0 0 0 0 0 0 0 0 0 0 7.127800 7.836600 0.596200 1XA 0 0.00000 0.00000 DUWG H112 11
41 4 1 0 0 0 0 0 0 0 0 0 0 7.459200 6.462800 -0.481000 1XA 0 0.00000 0.00000 DUWG H113 12
41 5 1 0 0 0 0 0 0 0 0 0 0 9.143500 6.326400 2.856600 1XA 0 0.00000 0.00000 DUWG H21 13
41 5 1 0 0 0 0 0 0 0 0 0 0 7.841000 7.513400 3.017500 1XA 0 0.00000 0.00000 DUWG H22 14
41 6 1 0 0 0 0 0 0 0 0 0 0 7.441200 6.077000 4.912300 1XA 0 0.00000 0.00000 DUWG H31 15
41 6 1 0 0 0 0 0 0 0 0 0 0 7.852100 4.607500 3.979600 1XA 0 0.00000 0.00000 DUWG H32 16
41 8 1 0 0 0 0 0 0 0 0 0 0 5.193100 6.952100 4.844700 1XA 0 0.00000 0.00000 DUWG H411 17
41 8 1 0 0 0 0 0 0 0 0 0 0 4.101600 6.571000 3.476200 1XA 0 0.00000 0.00000 DUWG H412 18
41 8 1 0 0 0 0 0 0 0 0 0 0 5.570900 7.575300 3.214000 1XA 0 0.00000 0.00000 DUWG H413 19
41 9 1 0 0 0 0 0 0 0 0 0 0 5.895600 3.445200 4.300000 1XA 0 0.00000 0.00000 DUWG H421 20
41 9 1 0 0 0 0 0 0 0 0 0 0 5.114900 4.669200 5.306900 1XA 0 0.00000 0.00000 DUWG H422 21
41 9 1 0 0 0 0 0 0 0 0 0 0 4.285800 4.122500 3.818400 1XA 0 0.00000 0.00000 DUWG H423 22
21 [DUWKUB,21,21,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 13 1 0 0 0 0 0 0 0 0 0 0 9.564900 -2.819200 1.368700 1XA 0 -0.29000 -0.29000 UNCH CL1 1
57 13 1 0 0 0 0 0 0 0 0 0 0 7.106600 -2.911600 -0.198000 1XA 0 -0.29000 -0.29000 UNCH CL2 2
57 13 1 0 0 0 0 0 0 0 0 0 0 7.738200 -5.042400 1.708700 1XA 0 -0.29000 -0.29000 UNCH CL3 3
16 8 1 9 1 0 0 0 0 0 0 0 0 7.129000 1.994000 1.846100 1XA 0 0.24180 0.24180 UNCH O1 4
2 8 2 10 1 14 1 0 0 0 0 0 0 5.895000 0.222100 1.843700 1XA 0 0.37180 0.37180 UNCH C4 5
16 12 1 15 1 0 0 0 0 0 0 0 0 5.438000 -2.229500 3.999900 1XA 0 -0.21700 -0.21700 UNCH O9 6
25 10 1 11 1 21 1 0 0 0 0 0 0 7.633700 -1.281300 2.921500 1XA 0 -0.53300 -0.53300 UNCH N6 7
25 4 1 5 2 0 0 0 0 0 0 0 0 5.882800 1.504700 1.490300 1XA 0 -0.40970 -0.40970 UNCH N5 8
25 4 1 10 2 0 0 0 0 0 0 0 0 7.917800 1.006200 2.415900 1XA 0 -0.40970 -0.40970 UNCH N2 9
2 5 1 7 1 9 2 0 0 0 0 0 0 7.161900 -0.095400 2.429800 1XA 0 0.37180 0.37180 UNCH C3 10
2 7 1 12 2 13 1 0 0 0 0 0 0 7.075400 -2.483400 2.478600 1XA 0 0.43900 0.43900 UNCH C7 11
25 6 1 11 2 0 0 0 0 0 0 0 0 5.952700 -2.989200 2.936300 1XA 0 -0.51300 -0.51300 UNCH N8 12
3 1 1 2 1 3 1 11 1 0 0 0 0 7.836400 -3.294800 1.376200 1XA 0 0.93100 0.93100 UNCH C11 13
25 5 1 19 1 20 1 0 0 0 0 0 0 4.855100 -0.618000 1.651000 1XA 0 -0.88300 -0.88300 UNCH N12 14
3 6 1 16 1 17 1 18 1 0 0 0 0 4.412300 -2.982500 4.640500 1XA 0 0.28000 0.28000 UNCH C10 15
41 15 1 0 0 0 0 0 0 0 0 0 0 4.012900 -2.388400 5.466400 1XA 0 0.00000 0.00000 UNCH H101 16
41 15 1 0 0 0 0 0 0 0 0 0 0 4.822300 -3.914900 5.040300 1XA 0 0.00000 0.00000 UNCH H102 17
41 15 1 0 0 0 0 0 0 0 0 0 0 3.604000 -3.196300 3.934700 1XA 0 0.00000 0.00000 UNCH H103 18
43 14 1 0 0 0 0 0 0 0 0 0 0 4.786700 -1.437300 2.259800 1XA 0 0.40000 0.40000 UNCH H122 19
43 14 1 0 0 0 0 0 0 0 0 0 0 3.951500 -0.190800 1.476000 1XA 0 0.40000 0.40000 UNCH H121 20
43 7 1 0 0 0 0 0 0 0 0 0 0 8.652200 -1.274200 2.928000 1XA 0 0.40000 0.40000 UNCH H6 21
22 [DUWRIW,22,22,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 1 5 2 11 1 0 0 0 0 0 0 0.024500 3.806800 10.675700 1XA 0 0.28110 0.28110 UNCH C1 1
31 1 1 3 1 4 2 0 0 0 0 0 0 -0.846500 3.587900 11.834800 1XA 0 0.83560 0.83560 UNCH N1 2
18 2 1 0 0 0 0 0 0 0 0 0 0 -0.317800 3.193100 12.885700 1XA 0 -0.52000 -0.52000 UNCH O1 3
15 2 2 0 0 0 0 0 0 0 0 0 0 -2.061200 3.799100 11.701100 1XA 0 -0.52000 -0.52000 UNCH O2 4
2 1 2 6 1 14 1 0 0 0 0 0 0 1.306000 3.425800 10.691800 1XA 0 -0.28820 -0.28820 UNCH C2 5
3 5 1 7 1 8 1 15 1 0 0 0 0 2.182100 3.677500 9.516600 1XA 0 0.41820 0.41820 UNCH C3 6
16 6 1 16 1 0 0 0 0 0 0 0 0 2.562900 2.421900 8.969300 1XA 0 -0.68000 -0.68000 UNCH O3 7
3 6 1 9 1 10 1 17 1 0 0 0 0 1.518400 4.577900 8.452900 1XA 0 0.28000 0.28000 UNCH C4 8
16 8 1 18 1 0 0 0 0 0 0 0 0 1.760600 5.959400 8.781600 1XA 0 -0.68000 -0.68000 UNCH O4 9
3 8 1 11 1 12 1 19 1 0 0 0 0 -0.011200 4.380400 8.372100 1XA 0 0.28000 0.28000 UNCH C5 10
16 1 1 10 1 0 0 0 0 0 0 0 0 -0.671200 4.391000 9.653900 1XA 0 -0.35670 -0.35670 UNCH O5 11
3 10 1 13 1 20 1 21 1 0 0 0 0 -0.448800 3.132900 7.585400 1XA 0 0.28000 0.28000 UNCH C6 12
16 12 1 22 1 0 0 0 0 0 0 0 0 0.129800 1.934200 8.100800 1XA 0 -0.68000 -0.68000 UNCH O6 13
41 5 1 0 0 0 0 0 0 0 0 0 0 1.751100 2.939600 11.554400 1XA 0 0.15000 0.15000 UNCH H2 14
41 6 1 0 0 0 0 0 0 0 0 0 0 3.101000 4.157700 9.872100 1XA 0 0.00000 0.00000 UNCH H3 15
42 7 1 0 0 0 0 0 0 0 0 0 0 1.735900 1.976700 8.680300 1XA 0 0.40000 0.40000 UNCH H30 16
41 8 1 0 0 0 0 0 0 0 0 0 0 1.962700 4.405900 7.465500 1XA 0 0.00000 0.00000 UNCH H4 17
42 9 1 0 0 0 0 0 0 0 0 0 0 2.722100 6.109800 8.733900 1XA 0 0.40000 0.40000 UNCH H40 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -0.432700 5.245300 7.843500 1XA 0 0.00000 0.00000 UNCH H5 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -1.537500 3.024400 7.637300 1XA 0 0.00000 0.00000 UNCH H61 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -0.150000 3.221700 6.536200 1XA 0 0.00000 0.00000 UNCH H62 21
42 13 1 0 0 0 0 0 0 0 0 0 0 -0.367300 1.194100 7.700100 1XA 0 0.40000 0.40000 UNCH H60 22
12 [DUXTIZ,12,12,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 1 4 2 7 1 0 0 0 0 0 0 2.208100 1.690000 4.502000 1XA 0 0.63000 0.63000 UNCH C1 1
25 1 1 3 1 5 1 0 0 0 0 0 0 2.946800 1.701300 3.349200 1XA 0 -0.39450 -0.39450 UNCH N1 2
16 2 1 6 1 0 0 0 0 0 0 0 0 2.285900 1.391400 2.142600 1XA 0 -0.43550 -0.43550 UNCH O1 3
15 1 2 0 0 0 0 0 0 0 0 0 0 1.037100 1.342600 4.586300 1XA 0 -0.57000 -0.57000 UNCH O2 4
43 2 1 0 0 0 0 0 0 0 0 0 0 3.872800 2.120400 3.299200 1XA 0 0.37000 0.37000 UNCH H1 5
42 3 1 0 0 0 0 0 0 0 0 0 0 1.369000 1.198300 2.432800 1XA 0 0.40000 0.40000 UNCH H2 6
2 1 1 8 1 9 2 0 0 0 0 0 0 2.978500 2.180800 5.733100 1XA 0 0.63000 0.63000 UNCH C1B 7
25 7 1 10 1 11 1 0 0 0 0 0 0 2.239800 2.169400 6.886000 1XA 0 -0.39450 -0.39450 UNCH N1B 8
15 7 2 0 0 0 0 0 0 0 0 0 0 4.149500 2.528100 5.648800 1XA 0 -0.57000 -0.57000 UNCH O2B 9
16 8 1 12 1 0 0 0 0 0 0 0 0 2.900700 2.479400 8.092500 1XA 0 -0.43550 -0.43550 UNCH O1B 10
43 8 1 0 0 0 0 0 0 0 0 0 0 1.313800 1.750400 6.936000 1XA 0 0.37000 0.37000 UNCH H1B 11
42 10 1 0 0 0 0 0 0 0 0 0 0 3.817700 2.672400 7.802300 1XA 0 0.40000 0.40000 UNCH H2B 12
29 [DUXWUO,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 5 1 0 0 0 0 0 0 0 0 5.619600 2.401600 20.201500 1XA 0 -0.37100 -0.37100 UNCH S1 1
3 1 1 3 1 6 1 18 1 0 0 0 0 5.006000 3.829100 19.250799 1XA 0 0.67360 0.67360 UNCH C2 2
25 2 1 4 1 12 1 0 0 0 0 0 0 5.164800 3.440500 17.851299 1XA 0 -0.29810 -0.29810 UNCH N3 3
25 3 1 5 2 0 0 0 0 0 0 0 0 5.855300 2.268800 17.598400 1XA 0 -0.51200 -0.51200 UNCH N4 4
2 1 1 4 2 15 1 0 0 0 0 0 0 6.163700 1.686800 18.714399 1XA 0 0.68700 0.68700 UNCH C5 5
2 2 1 7 2 11 1 0 0 0 0 0 0 5.763700 5.093400 19.615499 1XA 0 -0.14350 -0.14350 UNCH C6 6
2 6 2 8 1 19 1 0 0 0 0 0 0 5.134800 6.079700 20.394100 1XA 0 -0.15000 -0.15000 UNCH C7 7
2 7 1 9 2 20 1 0 0 0 0 0 0 5.813500 7.245600 20.754499 1XA 0 -0.15000 -0.15000 UNCH C8 8
2 8 2 10 1 21 1 0 0 0 0 0 0 7.130600 7.441700 20.346399 1XA 0 -0.15000 -0.15000 UNCH C9 9
2 9 1 11 2 22 1 0 0 0 0 0 0 7.771300 6.473600 19.577200 1XA 0 -0.15000 -0.15000 UNCH C10 10
2 6 1 10 2 23 1 0 0 0 0 0 0 7.094900 5.307400 19.214100 1XA 0 -0.15000 -0.15000 UNCH C11 11
2 3 1 13 1 14 2 0 0 0 0 0 0 4.522800 4.135700 16.840099 1XA 0 0.56900 0.56900 UNCH C12 12
3 12 1 24 1 25 1 26 1 0 0 0 0 4.778300 3.633200 15.441900 1XA 0 0.06100 0.06100 UNCH C13 13
15 12 2 0 0 0 0 0 0 0 0 0 0 3.772500 5.088100 17.049801 1XA 0 -0.57000 -0.57000 UNCH O14 14
49 5 1 16 2 17 1 0 0 0 0 0 0 7.055600 0.139700 18.848600 1XA 0 0.21050 0.21050 UNCH S15 15
15 15 2 0 0 0 0 0 0 0 0 0 0 8.166500 0.377800 19.831301 1XA 0 -0.50000 -0.50000 UNCH O16 16
3 15 1 27 1 28 1 29 1 0 0 0 0 7.778400 0.168000 17.194201 1XA 0 0.19350 0.19350 UNCH C17 17
41 2 1 0 0 0 0 0 0 0 0 0 0 3.934300 3.952400 19.445299 1XA 0 0.00000 0.00000 UNCH H2 18
41 7 1 0 0 0 0 0 0 0 0 0 0 4.105100 5.951100 20.722300 1XA 0 0.15000 0.15000 UNCH H7 19
41 8 1 0 0 0 0 0 0 0 0 0 0 5.312700 8.002200 21.353300 1XA 0 0.15000 0.15000 UNCH H8 20
41 9 1 0 0 0 0 0 0 0 0 0 0 7.657700 8.349500 20.627800 1XA 0 0.15000 0.15000 UNCH H9 21
41 10 1 0 0 0 0 0 0 0 0 0 0 8.800000 6.625600 19.260500 1XA 0 0.15000 0.15000 UNCH H10 22
41 11 1 0 0 0 0 0 0 0 0 0 0 7.619800 4.565800 18.615601 1XA 0 0.15000 0.15000 UNCH H11 23
41 13 1 0 0 0 0 0 0 0 0 0 0 4.327400 2.645800 15.312100 1XA 0 0.00000 0.00000 UNCH H131 24
41 13 1 0 0 0 0 0 0 0 0 0 0 5.853000 3.587700 15.244800 1XA 0 0.00000 0.00000 UNCH H132 25
41 13 1 0 0 0 0 0 0 0 0 0 0 4.328400 4.322200 14.721000 1XA 0 0.00000 0.00000 UNCH H133 26
41 17 1 0 0 0 0 0 0 0 0 0 0 8.458800 -0.682300 17.101299 1XA 0 0.00000 0.00000 UNCH H171 27
41 17 1 0 0 0 0 0 0 0 0 0 0 6.991100 0.073200 16.442499 1XA 0 0.00000 0.00000 UNCH H172 28
41 17 1 0 0 0 0 0 0 0 0 0 0 8.341800 1.092100 17.042400 1XA 0 0.00000 0.00000 UNCH H173 29
30 [DUXXAV,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 5 1 18 2 0 0 0 0 0 0 9.544600 15.706700 4.144900 1XA 0 0.21050 0.21050 UNCH S1 1
3 1 1 3 1 6 1 19 1 0 0 0 0 10.738300 15.955100 5.498500 1XA 0 0.63710 0.63710 UNCH C2 2
25 2 1 4 1 12 1 0 0 0 0 0 0 10.020200 16.752600 6.484300 1XA 0 -0.29810 -0.29810 UNCH N3 3
25 3 1 5 2 0 0 0 0 0 0 0 0 8.858700 17.376101 6.095100 1XA 0 -0.51200 -0.51200 UNCH N4 4
2 1 1 4 2 15 1 0 0 0 0 0 0 8.505900 16.972601 4.912600 1XA 0 0.64200 0.64200 UNCH C5 5
2 2 1 7 2 11 1 0 0 0 0 0 0 11.998800 16.615299 4.968100 1XA 0 -0.14350 -0.14350 UNCH C6 6
2 6 2 8 1 24 1 0 0 0 0 0 0 13.113900 15.817600 4.658200 1XA 0 -0.15000 -0.15000 UNCH C7 7
2 7 1 9 2 23 1 0 0 0 0 0 0 14.277200 16.387501 4.137900 1XA 0 -0.15000 -0.15000 UNCH C8 8
2 8 2 10 1 22 1 0 0 0 0 0 0 14.342500 17.760401 3.915100 1XA 0 -0.15000 -0.15000 UNCH C9 9
2 9 1 11 2 21 1 0 0 0 0 0 0 13.246100 18.565800 4.212600 1XA 0 -0.15000 -0.15000 UNCH C10 10
2 6 1 10 2 20 1 0 0 0 0 0 0 12.081000 17.999399 4.733500 1XA 0 -0.15000 -0.15000 UNCH C11 11
2 3 1 13 1 14 2 0 0 0 0 0 0 10.486600 16.841801 7.786500 1XA 0 0.56900 0.56900 UNCH C12 12
3 12 1 25 1 26 1 27 1 0 0 0 0 9.678200 17.714899 8.712300 1XA 0 0.06100 0.06100 UNCH C13 13
15 12 2 0 0 0 0 0 0 0 0 0 0 11.486400 16.243099 8.181300 1XA 0 -0.57000 -0.57000 UNCH O14 14
49 5 1 16 2 17 1 0 0 0 0 0 0 7.026900 17.704399 4.169200 1XA 0 0.21050 0.21050 UNCH S15 15
15 15 2 0 0 0 0 0 0 0 0 0 0 7.300400 17.726000 2.692400 1XA 0 -0.50000 -0.50000 UNCH O16 16
3 15 1 28 1 29 1 30 1 0 0 0 0 5.974500 16.273001 4.505500 1XA 0 0.19350 0.19350 UNCH C17 17
15 1 2 0 0 0 0 0 0 0 0 0 0 8.805600 14.418600 4.394800 1XA 0 -0.50000 -0.50000 UNCH O18 18
41 2 1 0 0 0 0 0 0 0 0 0 0 10.971300 14.980300 5.942700 1XA 0 0.00000 0.00000 UNCH H2 19
41 11 1 0 0 0 0 0 0 0 0 0 0 11.243500 18.657101 4.957500 1XA 0 0.15000 0.15000 UNCH H11 20
41 10 1 0 0 0 0 0 0 0 0 0 0 13.299500 19.638100 4.040300 1XA 0 0.15000 0.15000 UNCH H10 21
41 9 1 0 0 0 0 0 0 0 0 0 0 15.249800 18.203300 3.512100 1XA 0 0.15000 0.15000 UNCH H9 22
41 8 1 0 0 0 0 0 0 0 0 0 0 15.134600 15.759200 3.908600 1XA 0 0.15000 0.15000 UNCH H8 23
41 7 1 0 0 0 0 0 0 0 0 0 0 13.089000 14.741700 4.825100 1XA 0 0.15000 0.15000 UNCH H7 24
41 13 1 0 0 0 0 0 0 0 0 0 0 9.622300 18.733299 8.318200 1XA 0 0.00000 0.00000 UNCH H131 25
41 13 1 0 0 0 0 0 0 0 0 0 0 8.674100 17.300600 8.836900 1XA 0 0.00000 0.00000 UNCH H132 26
41 13 1 0 0 0 0 0 0 0 0 0 0 10.163600 17.751900 9.692100 1XA 0 0.00000 0.00000 UNCH H133 27
41 17 1 0 0 0 0 0 0 0 0 0 0 4.960500 16.506800 4.172100 1XA 0 0.00000 0.00000 UNCH H171 28
41 17 1 0 0 0 0 0 0 0 0 0 0 6.334000 15.399000 3.958800 1XA 0 0.00000 0.00000 UNCH H172 29
41 17 1 0 0 0 0 0 0 0 0 0 0 5.960400 16.069201 5.578900 1XA 0 0.00000 0.00000 UNCH H173 30
38 [DUYNOA,38,38,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 2 1 8 1 9 1 11 1 0 0 0 0 1.841000 10.677300 2.152700 1XA 0 0.55000 0.55000 UNCH C1 1
16 1 1 3 1 0 0 0 0 0 0 0 0 1.600700 11.210400 0.846000 1XA 0 -0.56000 -0.56000 UNCH O2 2
3 2 1 4 1 10 1 12 1 0 0 0 0 2.472100 12.316600 0.549500 1XA 0 0.55000 0.55000 UNCH C3 3
26 3 1 5 1 13 1 0 0 0 0 0 0 3.908100 11.951200 0.640400 1XA 0 -0.54000 -0.54000 UNCH N4 4
3 4 1 6 1 9 1 14 1 0 0 0 0 4.170100 11.326000 1.974300 1XA 0 0.54000 0.54000 UNCH C5 5
3 5 1 7 1 21 1 22 1 0 0 0 0 3.938400 12.436700 3.041900 1XA 0 0.00000 0.00000 UNCH C6 6
3 6 1 8 1 10 1 15 1 0 0 0 0 2.492700 12.953100 2.984200 1XA 0 0.00000 0.00000 UNCH C7 7
3 1 1 7 1 23 1 24 1 0 0 0 0 1.570400 11.755300 3.225300 1XA 0 0.00000 0.00000 UNCH C8 8
26 1 1 5 1 16 1 0 0 0 0 0 0 3.240400 10.185300 2.261300 1XA 0 -0.54000 -0.54000 UNCH N9 9
3 3 1 7 1 25 1 26 1 0 0 0 0 2.212500 13.458600 1.560600 1XA 0 0.00000 0.00000 UNCH C10 10
3 1 1 27 1 28 1 29 1 0 0 0 0 0.817300 9.549500 2.383400 1XA 0 0.00000 0.00000 UNCH C11 11
3 3 1 30 1 31 1 32 1 0 0 0 0 2.088600 12.833000 -0.846900 1XA 0 0.00000 0.00000 UNCH C31 12
26 4 1 17 1 18 1 0 0 0 0 0 0 4.327300 11.094200 -0.477200 1XA 0 -0.72000 -0.72000 UNCH N41 13
3 5 1 36 1 37 1 38 1 0 0 0 0 5.646100 10.889200 2.135300 1XA 0 0.00000 0.00000 UNCH C51 14
3 7 1 33 1 34 1 35 1 0 0 0 0 2.256400 14.052600 4.018300 1XA 0 0.00000 0.00000 UNCH C71 15
26 9 1 19 1 20 1 0 0 0 0 0 0 3.465800 9.045100 1.331700 1XA 0 -0.72000 -0.72000 UNCH N91 16
43 13 1 0 0 0 0 0 0 0 0 0 0 5.324300 11.229200 -0.656300 1XA 0 0.36000 0.36000 UNCH H411 17
43 13 1 0 0 0 0 0 0 0 0 0 0 4.252800 10.114000 -0.178700 1XA 0 0.36000 0.36000 UNCH H412 18
43 16 1 0 0 0 0 0 0 0 0 0 0 3.209100 8.173100 1.801600 1XA 0 0.36000 0.36000 UNCH H911 19
43 16 1 0 0 0 0 0 0 0 0 0 0 2.804700 9.127700 0.546500 1XA 0 0.36000 0.36000 UNCH H912 20
41 6 1 0 0 0 0 0 0 0 0 0 0 4.636900 13.269600 2.877700 1XA 0 0.00000 0.00000 UNCH H61 21
41 6 1 0 0 0 0 0 0 0 0 0 0 4.155300 12.046300 4.046400 1XA 0 0.00000 0.00000 UNCH H62 22
41 8 1 0 0 0 0 0 0 0 0 0 0 1.720800 11.345200 4.232900 1XA 0 0.00000 0.00000 UNCH H81 23
41 8 1 0 0 0 0 0 0 0 0 0 0 0.525400 12.089100 3.165700 1XA 0 0.00000 0.00000 UNCH H82 24
41 10 1 0 0 0 0 0 0 0 0 0 0 2.839300 14.330600 1.330100 1XA 0 0.00000 0.00000 UNCH H101 25
41 10 1 0 0 0 0 0 0 0 0 0 0 1.166100 13.786500 1.494200 1XA 0 0.00000 0.00000 UNCH H102 26
41 11 1 0 0 0 0 0 0 0 0 0 0 0.979000 9.045600 3.342500 1XA 0 0.00000 0.00000 UNCH H111 27
41 11 1 0 0 0 0 0 0 0 0 0 0 0.838600 8.800500 1.584300 1XA 0 0.00000 0.00000 UNCH H112 28
41 11 1 0 0 0 0 0 0 0 0 0 0 -0.203600 9.950500 2.376900 1XA 0 0.00000 0.00000 UNCH H113 29
41 12 1 0 0 0 0 0 0 0 0 0 0 2.728600 13.663200 -1.164600 1XA 0 0.00000 0.00000 UNCH H311 30
41 12 1 0 0 0 0 0 0 0 0 0 0 1.048700 13.181600 -0.855600 1XA 0 0.00000 0.00000 UNCH H312 31
41 12 1 0 0 0 0 0 0 0 0 0 0 2.139000 12.039300 -1.601000 1XA 0 0.00000 0.00000 UNCH H313 32
41 15 1 0 0 0 0 0 0 0 0 0 0 2.916600 14.908700 3.841700 1XA 0 0.00000 0.00000 UNCH H711 33
41 15 1 0 0 0 0 0 0 0 0 0 0 2.446500 13.687700 5.033600 1XA 0 0.00000 0.00000 UNCH H712 34
41 15 1 0 0 0 0 0 0 0 0 0 0 1.223000 14.414600 3.981700 1XA 0 0.00000 0.00000 UNCH H713 35
41 14 1 0 0 0 0 0 0 0 0 0 0 6.325300 11.733200 1.964900 1XA 0 0.00000 0.00000 UNCH H511 36
41 14 1 0 0 0 0 0 0 0 0 0 0 5.938000 10.093400 1.441900 1XA 0 0.00000 0.00000 UNCH H512 37
41 14 1 0 0 0 0 0 0 0 0 0 0 5.835300 10.516700 3.149400 1XA 0 0.00000 0.00000 UNCH H513 38
47 [DUYPES,47,47,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 10 1 9 1 0 0 0 0 0 0 0 0 9.958600 -2.376600 -0.361800 1XA 0 -0.21470 -0.21470 DUYP O4 1
15 12 2 0 0 0 0 0 0 0 0 0 0 8.730300 1.362800 -2.085000 1XA 0 -0.57000 -0.57000 DUYP O5 2
31 9 2 6 1 5 1 0 0 0 0 0 0 12.121600 -2.923000 0.025700 1XA 0 -0.83340 -0.83340 DUYP N1 3
25 9 1 8 1 7 1 0 0 0 0 0 0 10.822700 -1.609300 1.604300 1XA 0 -0.83340 -0.83340 DUYP N2 4
3 3 1 27 1 26 1 25 1 0 0 0 0 12.045700 -3.662500 -1.263500 1XA 0 0.48950 0.48950 DUYP C2 5
3 3 1 30 1 29 1 28 1 0 0 0 0 13.393100 -3.031800 0.750200 1XA 0 0.48950 0.48950 DUYP C3 6
3 4 1 33 1 32 1 31 1 0 0 0 0 11.850700 -1.280600 2.599400 1XA 0 0.48950 0.48950 DUYP C4 7
3 4 1 36 1 35 1 34 1 0 0 0 0 9.452400 -1.138100 1.946500 1XA 0 0.48950 0.48950 DUYP C5 8
2 1 1 3 2 4 1 0 0 0 0 0 0 11.018100 -2.292300 0.463300 1XA 0 0.84680 0.84680 DUYP C6 9
2 1 1 13 1 11 2 0 0 0 0 0 0 9.626100 -1.345800 -1.240400 1XA 0 0.04830 0.04830 DUYP C7 10
2 10 2 37 1 12 1 0 0 0 0 0 0 10.336700 -0.210800 -1.386700 1XA 0 -0.13560 -0.13560 DUYP C8 11
2 2 2 11 1 19 1 0 0 0 0 0 0 9.868700 0.930600 -2.216800 1XA 0 0.46940 0.46940 DUYP C9 12
2 10 1 18 1 14 2 0 0 0 0 0 0 8.420300 -1.665400 -2.026700 1XA 0 0.02840 0.02840 DUYP C10 13
2 13 2 38 1 15 1 0 0 0 0 0 0 8.497800 -1.825100 -3.418500 1XA 0 -0.15000 -0.15000 DUYP C11 14
2 14 1 39 1 16 2 0 0 0 0 0 0 7.360900 -2.160700 -4.156600 1XA 0 -0.15000 -0.15000 DUYP C12 15
2 15 2 40 1 17 1 0 0 0 0 0 0 6.140000 -2.346000 -3.511700 1XA 0 -0.15000 -0.15000 DUYP C13 16
2 16 1 41 1 18 2 0 0 0 0 0 0 6.053000 -2.195900 -2.129300 1XA 0 -0.15000 -0.15000 DUYP C14 17
2 13 1 17 2 42 1 0 0 0 0 0 0 7.188400 -1.859900 -1.388500 1XA 0 -0.15000 -0.15000 DUYP C15 18
2 12 1 24 1 20 2 0 0 0 0 0 0 10.849400 1.586500 -3.124100 1XA 0 0.08620 0.08620 DUYP C16 19
2 19 2 43 1 21 1 0 0 0 0 0 0 10.530100 2.851200 -3.635800 1XA 0 -0.15000 -0.15000 DUYP C17 20
2 20 1 44 1 22 2 0 0 0 0 0 0 11.413700 3.507900 -4.493700 1XA 0 -0.15000 -0.15000 DUYP C18 21
2 21 2 45 1 23 1 0 0 0 0 0 0 12.616900 2.902700 -4.850900 1XA 0 -0.15000 -0.15000 DUYP C19 22
2 22 1 46 1 24 2 0 0 0 0 0 0 12.937100 1.638900 -4.356400 1XA 0 -0.15000 -0.15000 DUYP C20 23
2 19 1 23 2 47 1 0 0 0 0 0 0 12.056100 0.977600 -3.496200 1XA 0 -0.15000 -0.15000 DUYP C21 24
41 5 1 0 0 0 0 0 0 0 0 0 0 11.963500 -2.946500 -2.086100 1XA 0 0.00000 0.00000 DUYP H22 25
41 5 1 0 0 0 0 0 0 0 0 0 0 11.186200 -4.339900 -1.253500 1XA 0 0.00000 0.00000 DUYP H23 26
41 5 1 0 0 0 0 0 0 0 0 0 0 12.943900 -4.266000 -1.422600 1XA 0 0.00000 0.00000 DUYP H24 27
41 6 1 0 0 0 0 0 0 0 0 0 0 13.871300 -2.051600 0.803000 1XA 0 0.00000 0.00000 DUYP H31 28
41 6 1 0 0 0 0 0 0 0 0 0 0 14.085100 -3.703600 0.232900 1XA 0 0.00000 0.00000 DUYP H32 29
41 6 1 0 0 0 0 0 0 0 0 0 0 13.221300 -3.450900 1.743500 1XA 0 0.00000 0.00000 DUYP H33 30
41 7 1 0 0 0 0 0 0 0 0 0 0 12.132700 -2.179600 3.151300 1XA 0 0.00000 0.00000 DUYP H41 31
41 7 1 0 0 0 0 0 0 0 0 0 0 11.470000 -0.546500 3.317400 1XA 0 0.00000 0.00000 DUYP H42 32
41 7 1 0 0 0 0 0 0 0 0 0 0 12.710600 -0.819900 2.110100 1XA 0 0.00000 0.00000 DUYP H43 33
41 8 1 0 0 0 0 0 0 0 0 0 0 9.358600 -1.012400 3.030000 1XA 0 0.00000 0.00000 DUYP H51 34
41 8 1 0 0 0 0 0 0 0 0 0 0 9.267600 -0.177700 1.459000 1XA 0 0.00000 0.00000 DUYP H52 35
41 8 1 0 0 0 0 0 0 0 0 0 0 8.705600 -1.878600 1.646300 1XA 0 0.00000 0.00000 DUYP H53 36
41 11 1 0 0 0 0 0 0 0 0 0 0 11.255800 -0.024000 -0.845500 1XA 0 0.15000 0.15000 DUYP H8 37
41 14 1 0 0 0 0 0 0 0 0 0 0 9.437100 -1.685400 -3.947000 1XA 0 0.15000 0.15000 DUYP H11 38
41 15 1 0 0 0 0 0 0 0 0 0 0 7.423700 -2.270800 -5.236700 1XA 0 0.15000 0.15000 DUYP H12 39
41 16 1 0 0 0 0 0 0 0 0 0 0 5.253100 -2.599200 -4.088300 1XA 0 0.15000 0.15000 DUYP H13 40
41 17 1 0 0 0 0 0 0 0 0 0 0 5.096200 -2.331800 -1.630600 1XA 0 0.15000 0.15000 DUYP H14 41
41 18 1 0 0 0 0 0 0 0 0 0 0 7.091300 -1.736900 -0.314100 1XA 0 0.15000 0.15000 DUYP H15 42
41 20 1 0 0 0 0 0 0 0 0 0 0 9.589500 3.332400 -3.371200 1XA 0 0.15000 0.15000 DUYP H17 43
41 21 1 0 0 0 0 0 0 0 0 0 0 11.159400 4.489700 -4.887500 1XA 0 0.15000 0.15000 DUYP H18 44
41 22 1 0 0 0 0 0 0 0 0 0 0 13.301300 3.415000 -5.524100 1XA 0 0.15000 0.15000 DUYP H19 45
41 23 1 0 0 0 0 0 0 0 0 0 0 13.872300 1.168700 -4.652200 1XA 0 0.15000 0.15000 DUYP H20 46
41 24 1 0 0 0 0 0 0 0 0 0 0 12.326600 -0.013900 -3.149400 1XA 0 0.15000 0.15000 DUYP H21 47
35 [DUYRAQ,35,35,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 3 1 7 1 8 1 0 0 0 0 0 0 0.481400 -0.120100 11.235100 1XA 0 -0.22280 -0.22280 UNCH P1 1
53 5 1 7 1 12 1 0 0 0 0 0 0 2.568200 1.921800 10.502000 1XA 0 -0.22280 -0.22280 UNCH P2 2
26 1 1 4 1 5 1 0 0 0 0 0 0 2.077600 -0.388300 11.739800 1XA 0 -0.47100 -0.47100 UNCH N1 3
43 3 1 0 0 0 0 0 0 0 0 0 0 2.470800 -1.224000 11.297700 1XA 0 0.36000 0.36000 UNCH H1 4
26 2 1 3 1 6 1 0 0 0 0 0 0 2.990700 0.703300 11.602600 1XA 0 -0.47100 -0.47100 UNCH N2 5
43 5 1 0 0 0 0 0 0 0 0 0 0 3.201700 1.094100 12.525200 1XA 0 0.36000 0.36000 UNCH H2 6
3 1 1 2 1 16 1 17 1 0 0 0 0 0.800200 1.434500 10.292200 1XA 0 0.33380 0.33380 UNCH C1 7
3 1 1 9 1 10 1 11 1 0 0 0 0 -0.339900 0.450000 12.832100 1XA 0 0.16690 0.16690 UNCH C2 8
3 8 1 18 1 19 1 20 1 0 0 0 0 -0.429200 -0.760400 13.787400 1XA 0 0.00000 0.00000 UNCH C3 9
3 8 1 21 1 22 1 23 1 0 0 0 0 0.376200 1.595300 13.559800 1XA 0 0.00000 0.00000 UNCH C4 10
3 8 1 24 1 25 1 26 1 0 0 0 0 -1.779300 0.897000 12.497900 1XA 0 0.00000 0.00000 UNCH C5 11
3 2 1 13 1 14 1 15 1 0 0 0 0 3.416100 1.332100 8.926000 1XA 0 0.16690 0.16690 UNCH C6 12
3 12 1 27 1 28 1 29 1 0 0 0 0 3.115000 -0.118900 8.528500 1XA 0 0.00000 0.00000 UNCH C7 13
3 12 1 30 1 31 1 32 1 0 0 0 0 2.984600 2.262900 7.772400 1XA 0 0.00000 0.00000 UNCH C8 14
3 12 1 33 1 34 1 35 1 0 0 0 0 4.941600 1.484700 9.113000 1XA 0 0.00000 0.00000 UNCH C9 15
41 7 1 0 0 0 0 0 0 0 0 0 0 0.157100 2.247600 10.638500 1XA 0 0.00000 0.00000 UNCH H11 16
41 7 1 0 0 0 0 0 0 0 0 0 0 0.554400 1.276000 9.239100 1XA 0 0.00000 0.00000 UNCH H12 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.964400 -1.601900 13.330900 1XA 0 0.00000 0.00000 UNCH H31 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.964100 -0.494800 14.707000 1XA 0 0.00000 0.00000 UNCH H32 19
41 9 1 0 0 0 0 0 0 0 0 0 0 0.563300 -1.120400 14.082900 1XA 0 0.00000 0.00000 UNCH H33 20
41 10 1 0 0 0 0 0 0 0 0 0 0 0.466100 2.492500 12.939900 1XA 0 0.00000 0.00000 UNCH H41 21
41 10 1 0 0 0 0 0 0 0 0 0 0 1.378600 1.310000 13.894100 1XA 0 0.00000 0.00000 UNCH H42 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -0.179600 1.888600 14.459000 1XA 0 0.00000 0.00000 UNCH H43 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -1.794100 1.771800 11.838200 1XA 0 0.00000 0.00000 UNCH H51 24
41 11 1 0 0 0 0 0 0 0 0 0 0 -2.325800 1.170200 13.408500 1XA 0 0.00000 0.00000 UNCH H52 25
41 11 1 0 0 0 0 0 0 0 0 0 0 -2.349300 0.100800 12.003700 1XA 0 0.00000 0.00000 UNCH H53 26
41 13 1 0 0 0 0 0 0 0 0 0 0 2.046800 -0.295500 8.370400 1XA 0 0.00000 0.00000 UNCH H71 27
41 13 1 0 0 0 0 0 0 0 0 0 0 3.472100 -0.834800 9.275400 1XA 0 0.00000 0.00000 UNCH H72 28
41 13 1 0 0 0 0 0 0 0 0 0 0 3.618700 -0.373700 7.587800 1XA 0 0.00000 0.00000 UNCH H73 29
41 14 1 0 0 0 0 0 0 0 0 0 0 3.208200 3.314200 7.991200 1XA 0 0.00000 0.00000 UNCH H81 30
41 14 1 0 0 0 0 0 0 0 0 0 0 1.910900 2.189700 7.566400 1XA 0 0.00000 0.00000 UNCH H82 31
41 14 1 0 0 0 0 0 0 0 0 0 0 3.509500 2.005600 6.844600 1XA 0 0.00000 0.00000 UNCH H83 32
41 15 1 0 0 0 0 0 0 0 0 0 0 5.220700 2.514900 9.365800 1XA 0 0.00000 0.00000 UNCH H91 33
41 15 1 0 0 0 0 0 0 0 0 0 0 5.477300 1.218600 8.193900 1XA 0 0.00000 0.00000 UNCH H92 34
41 15 1 0 0 0 0 0 0 0 0 0 0 5.321800 0.833900 9.909100 1XA 0 0.00000 0.00000 UNCH H93 35
27 [FACMIF,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 3 1 9 1 12 1 0 0 0 0 0 0 6.663500 2.223400 1.727400 1XA 0 -0.23180 -0.23180 UNCH P1 1
15 5 2 0 0 0 0 0 0 0 0 0 0 6.439400 0.290700 4.096800 1XA 0 -0.57000 -0.57000 UNCH O1 2
25 1 1 4 1 5 1 0 0 0 0 0 0 5.776200 2.357500 3.239900 1XA 0 -0.10000 -0.10000 UNCH N1 3
25 3 1 7 2 0 0 0 0 0 0 0 0 4.993800 3.490100 3.413400 1XA 0 -0.51200 -0.51200 UNCH N2 4
2 2 2 3 1 6 1 0 0 0 0 0 0 5.828100 1.355300 4.210900 1XA 0 0.56900 0.56900 UNCH C1 5
3 5 1 15 1 16 1 17 1 0 0 0 0 5.037000 1.651600 5.462300 1XA 0 0.06100 0.06100 UNCH C2 6
2 4 2 8 1 9 1 0 0 0 0 0 0 4.965500 4.243000 2.348100 1XA 0 0.32800 0.32800 UNCH C3 7
3 7 1 18 1 19 1 20 1 0 0 0 0 4.186400 5.522300 2.329100 1XA 0 0.06100 0.06100 UNCH C4 8
3 1 1 7 1 10 1 21 1 0 0 0 0 5.700000 3.801700 1.086600 1XA 0 0.22790 0.22790 UNCH C5 9
3 9 1 11 1 14 1 22 1 0 0 0 0 4.770600 3.219300 -0.006400 1XA 0 0.13820 0.13820 UNCH C6 10
3 10 1 12 1 23 1 24 1 0 0 0 0 4.232800 1.885600 0.541800 1XA 0 0.00000 0.00000 UNCH C7 11
3 1 1 11 1 13 1 25 1 0 0 0 0 5.570600 1.149600 0.644600 1XA 0 0.30510 0.30510 UNCH C8 12
2 12 1 14 2 26 1 0 0 0 0 0 0 6.147000 1.508600 -0.706700 1XA 0 -0.28820 -0.28820 UNCH C9 13
2 10 1 13 2 27 1 0 0 0 0 0 0 5.634300 2.680000 -1.126900 1XA 0 -0.28820 -0.28820 UNCH C10 14
41 6 1 0 0 0 0 0 0 0 0 0 0 3.971600 1.719000 5.225700 1XA 0 0.00000 0.00000 UNCH H21 15
41 6 1 0 0 0 0 0 0 0 0 0 0 5.181500 0.841500 6.183400 1XA 0 0.00000 0.00000 UNCH H22 16
41 6 1 0 0 0 0 0 0 0 0 0 0 5.385000 2.581800 5.919700 1XA 0 0.00000 0.00000 UNCH H23 17
41 8 1 0 0 0 0 0 0 0 0 0 0 3.333000 5.417300 1.654400 1XA 0 0.00000 0.00000 UNCH H41 18
41 8 1 0 0 0 0 0 0 0 0 0 0 3.823100 5.764100 3.331400 1XA 0 0.00000 0.00000 UNCH H42 19
41 8 1 0 0 0 0 0 0 0 0 0 0 4.827800 6.333300 1.974600 1XA 0 0.00000 0.00000 UNCH H43 20
41 9 1 0 0 0 0 0 0 0 0 0 0 6.401600 4.564000 0.738100 1XA 0 0.00000 0.00000 UNCH H5 21
41 10 1 0 0 0 0 0 0 0 0 0 0 3.980500 3.893400 -0.343600 1XA 0 0.00000 0.00000 UNCH H6 22
41 11 1 0 0 0 0 0 0 0 0 0 0 3.696400 1.980600 1.490800 1XA 0 0.00000 0.00000 UNCH H71 23
41 11 1 0 0 0 0 0 0 0 0 0 0 3.554200 1.396700 -0.171100 1XA 0 0.00000 0.00000 UNCH H72 24
41 12 1 0 0 0 0 0 0 0 0 0 0 5.513800 0.084600 0.867500 1XA 0 0.00000 0.00000 UNCH H8 25
41 13 1 0 0 0 0 0 0 0 0 0 0 6.851800 0.894600 -1.250800 1XA 0 0.15000 0.15000 UNCH H9 26
41 14 1 0 0 0 0 0 0 0 0 0 0 5.875900 3.191900 -2.046600 1XA 0 0.15000 0.15000 UNCH H10 27
21 [FACREG,21,21,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 2 1 5 1 10 1 12 1 0 0 0 0 2.866900 4.874800 6.744600 1XA 0 0.52020 0.52020 UNCH C1 1
31 1 1 3 1 4 2 0 0 0 0 0 0 2.048100 5.974900 7.389600 1XA 0 0.79980 0.79980 UNCH N1 2
18 2 1 0 0 0 0 0 0 0 0 0 0 0.828500 5.999900 7.169600 1XA 0 -0.52000 -0.52000 UNCH O10 3
15 2 2 0 0 0 0 0 0 0 0 0 0 2.654300 6.744400 8.148000 1XA 0 -0.52000 -0.52000 UNCH O20 4
3 1 1 6 1 7 1 13 1 0 0 0 0 2.501000 3.555000 7.411300 1XA 0 0.28000 0.28000 UNCH C2 5
16 5 1 14 1 0 0 0 0 0 0 0 0 3.618800 2.639500 7.426100 1XA 0 -0.68000 -0.68000 UNCH O2 6
3 5 1 8 1 9 1 15 1 0 0 0 0 1.455200 2.995900 6.455900 1XA 0 0.28000 0.28000 UNCH C3 7
16 7 1 16 1 0 0 0 0 0 0 0 0 1.365600 1.580200 6.539000 1XA 0 -0.68000 -0.68000 UNCH O3 8
3 7 1 10 1 11 1 17 1 0 0 0 0 1.970900 3.479600 5.104100 1XA 0 0.28000 0.28000 UNCH C4 9
16 1 1 9 1 0 0 0 0 0 0 0 0 2.532600 4.790900 5.341400 1XA 0 -0.56000 -0.56000 UNCH O4 10
3 9 1 18 1 19 1 21 1 0 0 0 0 0.867300 3.551800 4.049600 1XA 0 0.28000 0.28000 UNCH C5 11
41 1 1 0 0 0 0 0 0 0 0 0 0 3.923600 5.142100 6.844200 1XA 0 0.00000 0.00000 UNCH H1 12
41 5 1 0 0 0 0 0 0 0 0 0 0 2.135300 3.629800 8.440400 1XA 0 0.00000 0.00000 UNCH H2 13
42 6 1 0 0 0 0 0 0 0 0 0 0 4.237200 2.929700 8.122700 1XA 0 0.40000 0.40000 UNCH H20 14
41 7 1 0 0 0 0 0 0 0 0 0 0 0.469400 3.421600 6.672500 1XA 0 0.00000 0.00000 UNCH H3 15
42 8 1 0 0 0 0 0 0 0 0 0 0 2.278200 1.265900 6.711200 1XA 0 0.40000 0.40000 UNCH H30 16
41 9 1 0 0 0 0 0 0 0 0 0 0 2.782800 2.839900 4.735200 1XA 0 0.00000 0.00000 UNCH H4 17
41 11 1 0 0 0 0 0 0 0 0 0 0 0.171200 4.367200 4.272200 1XA 0 0.00000 0.00000 UNCH H51 18
41 11 1 0 0 0 0 0 0 0 0 0 0 0.318200 2.607200 3.989800 1XA 0 0.00000 0.00000 UNCH H52 19
42 21 1 0 0 0 0 0 0 0 0 0 0 0.701500 3.953300 2.150800 1XA 0 0.40000 0.40000 UNCH H50 20
16 11 1 20 1 0 0 0 0 0 0 0 0 1.439600 3.807000 2.766900 1XA 0 -0.68000 -0.68000 UNCH O5 21
19 [FACYAJ,19,19,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 1 9 2 10 1 0 0 0 0 0 0 6.034400 1.955200 7.868400 1XA 0 0.16000 0.16000 UNCH C11 1
16 1 1 3 1 0 0 0 0 0 0 0 0 6.019800 0.822900 8.645000 1XA 0 -0.28000 -0.28000 UNCH O21 2
2 2 1 4 2 15 1 0 0 0 0 0 0 6.091600 -0.259100 7.806700 1XA 0 -0.01000 -0.01000 UNCH C31 3
2 3 2 5 1 9 1 0 0 0 0 0 0 6.151600 0.172600 6.508500 1XA 0 0.00000 0.00000 UNCH C311 4
2 4 1 6 2 16 1 0 0 0 0 0 0 6.232800 -0.617200 5.367700 1XA 0 -0.15000 -0.15000 UNCH C41 5
2 5 2 7 1 12 1 0 0 0 0 0 0 6.272500 0.232700 4.255400 1XA 0 0.08250 0.08250 UNCH C51 6
2 6 1 8 2 13 1 0 0 0 0 0 0 6.236400 1.650400 4.285900 1XA 0 0.08250 0.08250 UNCH C61 7
2 7 2 9 1 17 1 0 0 0 0 0 0 6.154700 2.449500 5.433400 1XA 0 -0.15000 -0.15000 UNCH C71 8
2 1 2 4 1 8 1 0 0 0 0 0 0 6.114800 1.608700 6.544000 1XA 0 0.00000 0.00000 UNCH C711 9
1 1 1 11 3 0 0 0 0 0 0 0 0 5.967800 3.204300 8.536300 1XA 0 0.53710 0.53710 UNCH C81 10
24 10 3 0 0 0 0 0 0 0 0 0 0 5.914100 4.238000 9.062700 1XA 0 -0.55710 -0.55710 UNCH N91 11
16 6 1 14 1 0 0 0 0 0 0 0 0 6.353700 -0.235800 2.971000 1XA 0 -0.36250 -0.36250 UNCH O101 12
16 7 1 14 1 0 0 0 0 0 0 0 0 6.292200 2.177200 3.023000 1XA 0 -0.36250 -0.36250 UNCH O111 13
3 12 1 13 1 18 1 19 1 0 0 0 0 6.365100 0.988700 2.212900 1XA 0 0.56000 0.56000 UNCH C121 14
41 3 1 0 0 0 0 0 0 0 0 0 0 6.088700 -1.225400 8.292300 1XA 0 0.15000 0.15000 UNCH H31 15
41 5 1 0 0 0 0 0 0 0 0 0 0 6.261800 -1.693900 5.315500 1XA 0 0.15000 0.15000 UNCH H41 16
41 8 1 0 0 0 0 0 0 0 0 0 0 6.129100 3.528400 5.422000 1XA 0 0.15000 0.15000 UNCH H71 17
41 14 1 0 0 0 0 0 0 0 0 0 0 5.511200 0.981700 1.525800 1XA 0 0.00000 0.00000 UNCH H211 18
41 14 1 0 0 0 0 0 0 0 0 0 0 7.287600 1.024900 1.622300 1XA 0 0.00000 0.00000 UNCH H221 19
16 [FADMIG,16,16,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 11 1 9 1 2 1 0 0 0 0 0 0 -1.971300 2.364200 -0.277500 1XA 0 -0.52000 -0.52000 FADM N1 1
25 1 1 12 1 3 1 0 0 0 0 0 0 -1.046700 1.318200 0.034700 1XA 0 -0.41000 -0.41000 FADM N2 2
2 2 1 10 2 4 1 0 0 0 0 0 0 -0.169800 1.687600 1.044200 1XA 0 0.54380 0.54380 FADM C3 3
2 3 1 9 2 5 1 0 0 0 0 0 0 -0.670900 2.948300 1.575500 1XA 0 0.08620 0.08620 FADM C31 4
2 4 1 13 1 6 2 0 0 0 0 0 0 -0.241400 3.715500 2.640000 1XA 0 -0.15000 -0.15000 FADM C4 5
2 5 2 14 1 7 1 0 0 0 0 0 0 -0.950000 4.889700 2.897100 1XA 0 -0.15000 -0.15000 FADM C5 6
2 6 1 15 1 8 2 0 0 0 0 0 0 -2.045500 5.256600 2.090500 1XA 0 -0.15000 -0.15000 FADM C6 7
2 7 2 16 1 9 1 0 0 0 0 0 0 -2.450600 4.456400 1.012900 1XA 0 -0.15000 -0.15000 FADM C7 8
2 1 1 4 2 8 1 0 0 0 0 0 0 -1.749500 3.292300 0.766500 1XA 0 0.10000 0.10000 FADM C71 9
15 3 2 0 0 0 0 0 0 0 0 0 0 0.836500 1.110000 1.405800 1XA 0 -0.57000 -0.57000 FADM O9 10
43 1 1 0 0 0 0 0 0 0 0 0 0 -2.941900 2.042200 -0.251300 1XA 0 0.40000 0.40000 FADM H1 11
43 2 1 0 0 0 0 0 0 0 0 0 0 -0.704300 0.729900 -0.718200 1XA 0 0.37000 0.37000 FADM H2 12
41 5 1 0 0 0 0 0 0 0 0 0 0 0.607000 3.412400 3.243100 1XA 0 0.15000 0.15000 FADM H4 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -0.652600 5.530500 3.724600 1XA 0 0.15000 0.15000 FADM H5 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -2.579800 6.180500 2.304000 1XA 0 0.15000 0.15000 FADM H6 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -3.283900 4.755200 0.386300 1XA 0 0.15000 0.15000 FADM H7 16
23 [FADVEL,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 4 2 5 2 11 1 12 1 0 0 0 0 8.341600 2.033000 2.315800 1XA 0 1.33280 1.33280 UNCH S1 1
49 6 1 7 2 8 2 14 1 0 0 0 0 11.244400 1.139400 0.568900 1XA 0 1.37850 1.37850 UNCH S2 2
49 9 2 10 2 11 1 13 1 0 0 0 0 9.354500 4.353100 0.844600 1XA 0 1.33280 1.33280 UNCH S3 3
15 1 2 0 0 0 0 0 0 0 0 0 0 8.262300 2.876300 3.490200 1XA 0 -0.65000 -0.65000 UNCH O1 4
15 1 2 0 0 0 0 0 0 0 0 0 0 8.722400 0.642400 2.459500 1XA 0 -0.65000 -0.65000 UNCH O2 5
16 2 1 11 1 0 0 0 0 0 0 0 0 10.715700 2.361400 1.537100 1XA 0 -0.10070 -0.10070 UNCH O3 6
15 2 2 0 0 0 0 0 0 0 0 0 0 11.859900 0.126100 1.400300 1XA 0 -0.65000 -0.65000 UNCH O4 7
15 2 2 0 0 0 0 0 0 0 0 0 0 10.236600 0.814100 -0.422300 1XA 0 -0.65000 -0.65000 UNCH O5 8
15 3 2 0 0 0 0 0 0 0 0 0 0 10.481000 4.591600 -0.040800 1XA 0 -0.65000 -0.65000 UNCH O6 9
15 3 2 0 0 0 0 0 0 0 0 0 0 8.021200 4.734200 0.428400 1XA 0 -0.65000 -0.65000 UNCH O7 10
25 1 1 3 1 6 1 0 0 0 0 0 0 9.358000 2.740500 1.211200 1XA 0 -0.35900 -0.35900 UNCH N1 11
3 1 1 15 1 16 1 17 1 0 0 0 0 6.767400 2.065800 1.485000 1XA 0 0.10520 0.10520 UNCH C1 12
3 3 1 18 1 19 1 20 1 0 0 0 0 9.720100 5.192200 2.377100 1XA 0 0.10520 0.10520 UNCH C2 13
3 2 1 21 1 22 1 23 1 0 0 0 0 12.551100 2.029500 -0.240300 1XA 0 0.10520 0.10520 UNCH C3 14
41 12 1 0 0 0 0 0 0 0 0 0 0 6.881400 1.628700 0.491400 1XA 0 0.00000 0.00000 UNCH H1 15
41 12 1 0 0 0 0 0 0 0 0 0 0 6.070800 1.462300 2.072000 1XA 0 0.00000 0.00000 UNCH H2 16
41 12 1 0 0 0 0 0 0 0 0 0 0 6.397800 3.089200 1.432300 1XA 0 0.00000 0.00000 UNCH H3 17
41 13 1 0 0 0 0 0 0 0 0 0 0 10.577100 4.718100 2.857500 1XA 0 0.00000 0.00000 UNCH H4 18
41 13 1 0 0 0 0 0 0 0 0 0 0 9.973400 6.226400 2.129400 1XA 0 0.00000 0.00000 UNCH H5 19
41 13 1 0 0 0 0 0 0 0 0 0 0 8.841100 5.192100 3.020400 1XA 0 0.00000 0.00000 UNCH H6 20
41 14 1 0 0 0 0 0 0 0 0 0 0 12.122900 2.798900 -0.881900 1XA 0 0.00000 0.00000 UNCH H7 21
41 14 1 0 0 0 0 0 0 0 0 0 0 13.113800 1.318600 -0.849600 1XA 0 0.00000 0.00000 UNCH H8 22
41 14 1 0 0 0 0 0 0 0 0 0 0 13.204900 2.466400 0.516700 1XA 0 0.00000 0.00000 UNCH H9 23
23 [FADVUB,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 5 1 4 1 3 2 2 2 0 0 0 0 3.643000 9.336400 15.966800 1XA 0 1.02910 1.02910 FADV S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 2.501800 10.231800 15.934100 1XA 0 -0.65000 -0.65000 FADV O1 2
25 1 2 12 1 0 0 0 0 0 0 0 0 3.632600 7.947200 15.296100 1XA 0 -0.98950 -0.98950 FADV N1 3
3 1 1 15 1 14 1 13 1 0 0 0 0 5.052500 10.219100 15.327300 1XA 0 0.10520 0.10520 FADV C1 4
3 1 1 17 1 16 1 6 1 0 0 0 0 4.063600 9.082200 17.687099 1XA 0 0.10520 0.10520 FADV C2 5
3 5 1 19 1 18 1 7 1 0 0 0 0 3.822900 10.335500 18.533501 1XA 0 0.00000 0.00000 FADV C3 6
3 6 1 20 1 9 1 8 1 0 0 0 0 4.701400 10.363900 19.773701 1XA 0 0.39700 0.39700 FADV C4 7
32 7 1 23 1 22 1 21 1 0 0 0 0 4.103300 11.332200 20.781601 1XA 0 -0.85300 -0.85300 FADV N2 8
2 7 1 11 1 10 2 0 0 0 0 0 0 6.161100 10.834000 19.474899 1XA 0 0.90600 0.90600 FADV C5 9
15 9 2 0 0 0 0 0 0 0 0 0 0 6.667600 10.490400 18.386400 1XA 0 -0.90000 -0.90000 FADV O2 10
18 9 1 0 0 0 0 0 0 0 0 0 0 6.556500 11.589200 20.421400 1XA 0 -0.90000 -0.90000 FADV O3 11
43 3 1 0 0 0 0 0 0 0 0 0 0 2.804200 7.410900 15.558800 1XA 0 0.40000 0.40000 FADV H1 12
41 4 1 0 0 0 0 0 0 0 0 0 0 5.948800 9.611300 15.464000 1XA 0 0.00000 0.00000 FADV H2 13
41 4 1 0 0 0 0 0 0 0 0 0 0 5.148800 11.168200 15.856900 1XA 0 0.00000 0.00000 FADV H3 14
41 4 1 0 0 0 0 0 0 0 0 0 0 4.882400 10.409600 14.265300 1XA 0 0.00000 0.00000 FADV H4 15
41 5 1 0 0 0 0 0 0 0 0 0 0 5.094600 8.721100 17.713800 1XA 0 0.00000 0.00000 FADV H5 16
41 5 1 0 0 0 0 0 0 0 0 0 0 3.424200 8.271700 18.055300 1XA 0 0.00000 0.00000 FADV H6 17
41 6 1 0 0 0 0 0 0 0 0 0 0 4.005800 11.243100 17.945400 1XA 0 0.00000 0.00000 FADV H7 18
41 6 1 0 0 0 0 0 0 0 0 0 0 2.761900 10.361600 18.813400 1XA 0 0.00000 0.00000 FADV H8 19
41 7 1 0 0 0 0 0 0 0 0 0 0 4.734500 9.395100 20.283199 1XA 0 0.00000 0.00000 FADV H9 20
44 8 1 0 0 0 0 0 0 0 0 0 0 4.980800 11.705400 21.227400 1XA 0 0.45000 0.45000 FADV H10 21
44 8 1 0 0 0 0 0 0 0 0 0 0 3.515000 10.912500 21.499500 1XA 0 0.45000 0.45000 FADV H11 22
44 8 1 0 0 0 0 0 0 0 0 0 0 3.686400 12.153700 20.336700 1XA 0 0.45000 0.45000 FADV H12 23
41 [FAGBUK,41,41,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 23 1 22 2 5 1 2 1 0 0 0 0 5.026400 6.195500 7.599400 1XA 0 1.13400 1.13400 FAGB P1 1
18 1 1 0 0 0 0 0 0 0 0 0 0 4.142700 5.446200 8.580100 1XA 0 -0.95000 -0.95000 FAGB O1 2
31 7 1 6 1 5 2 0 0 0 0 0 0 5.451100 8.187600 9.596300 1XA 0 -0.83340 -0.83340 FAGB N1 3
25 9 1 8 1 5 1 0 0 0 0 0 0 7.458200 7.274700 8.585100 1XA 0 -0.83340 -0.83340 FAGB N2 4
2 1 1 3 2 4 1 0 0 0 0 0 0 6.094700 7.365300 8.707000 1XA 0 0.59180 0.59180 FAGB C1 5
3 3 1 12 1 11 1 10 1 0 0 0 0 3.979200 8.111100 9.746600 1XA 0 0.48950 0.48950 FAGB C2 6
3 3 1 15 1 14 1 13 1 0 0 0 0 6.119400 8.927100 10.680400 1XA 0 0.48950 0.48950 FAGB C3 7
3 4 1 18 1 17 1 16 1 0 0 0 0 8.060600 6.053300 7.975700 1XA 0 0.48950 0.48950 FAGB C4 8
3 4 1 21 1 20 1 19 1 0 0 0 0 8.449000 8.255700 9.043700 1XA 0 0.48950 0.48950 FAGB C5 9
41 6 1 0 0 0 0 0 0 0 0 0 0 3.618300 8.951200 10.349800 1XA 0 0.00000 0.00000 FAGB H21 10
41 6 1 0 0 0 0 0 0 0 0 0 0 3.705700 7.184900 10.255700 1XA 0 0.00000 0.00000 FAGB H22 11
41 6 1 0 0 0 0 0 0 0 0 0 0 3.494100 8.210500 8.781600 1XA 0 0.00000 0.00000 FAGB H23 12
41 7 1 0 0 0 0 0 0 0 0 0 0 5.406800 9.189600 11.469600 1XA 0 0.00000 0.00000 FAGB H31 13
41 7 1 0 0 0 0 0 0 0 0 0 0 6.537500 9.857100 10.290500 1XA 0 0.00000 0.00000 FAGB H32 14
41 7 1 0 0 0 0 0 0 0 0 0 0 6.878600 8.300000 11.151300 1XA 0 0.00000 0.00000 FAGB H33 15
41 8 1 0 0 0 0 0 0 0 0 0 0 9.080300 5.928100 8.358300 1XA 0 0.00000 0.00000 FAGB H41 16
41 8 1 0 0 0 0 0 0 0 0 0 0 8.127100 6.175800 6.892900 1XA 0 0.00000 0.00000 FAGB H42 17
41 8 1 0 0 0 0 0 0 0 0 0 0 7.513500 5.161800 8.291600 1XA 0 0.00000 0.00000 FAGB H43 18
41 9 1 0 0 0 0 0 0 0 0 0 0 8.063100 9.269200 8.920700 1XA 0 0.00000 0.00000 FAGB H51 19
41 9 1 0 0 0 0 0 0 0 0 0 0 9.347800 8.192400 8.420100 1XA 0 0.00000 0.00000 FAGB H52 20
41 9 1 0 0 0 0 0 0 0 0 0 0 8.733700 8.049400 10.077500 1XA 0 0.00000 0.00000 FAGB H53 21
15 1 2 0 0 0 0 0 0 0 0 0 0 5.910200 5.446600 6.618400 1XA 0 -0.95000 -0.95000 FAGB O1A 22
2 1 1 25 1 24 2 0 0 0 0 0 0 3.958100 7.365600 6.492100 1XA 0 0.59180 0.59180 FAGB C1A 23
31 23 2 27 1 26 1 0 0 0 0 0 0 4.601600 8.188200 5.603100 1XA 0 -0.83340 -0.83340 FAGB N1A 24
25 23 1 29 1 28 1 0 0 0 0 0 0 2.594600 7.274800 6.614000 1XA 0 -0.83340 -0.83340 FAGB N2A 25
3 24 1 32 1 31 1 30 1 0 0 0 0 6.073500 8.111800 5.452700 1XA 0 0.48950 0.48950 FAGB C2A 26
3 24 1 35 1 34 1 33 1 0 0 0 0 3.933300 8.928000 4.519200 1XA 0 0.48950 0.48950 FAGB C3A 27
3 25 1 38 1 37 1 36 1 0 0 0 0 1.992300 6.053200 7.223000 1XA 0 0.48950 0.48950 FAGB C4A 28
3 25 1 41 1 40 1 39 1 0 0 0 0 1.603700 8.256000 6.155700 1XA 0 0.48950 0.48950 FAGB C5A 29
41 26 1 0 0 0 0 0 0 0 0 0 0 6.434400 8.952200 4.849800 1XA 0 0.00000 0.00000 FAGB H21A 30
41 26 1 0 0 0 0 0 0 0 0 0 0 6.347100 7.185900 4.943400 1XA 0 0.00000 0.00000 FAGB H22A 31
41 26 1 0 0 0 0 0 0 0 0 0 0 6.558600 8.211000 6.417700 1XA 0 0.00000 0.00000 FAGB H23A 32
41 27 1 0 0 0 0 0 0 0 0 0 0 4.645900 9.190800 3.730100 1XA 0 0.00000 0.00000 FAGB H31A 33
41 27 1 0 0 0 0 0 0 0 0 0 0 3.515100 9.857900 4.909400 1XA 0 0.00000 0.00000 FAGB H32A 34
41 27 1 0 0 0 0 0 0 0 0 0 0 3.174100 8.301000 4.048100 1XA 0 0.00000 0.00000 FAGB H33A 35
41 28 1 0 0 0 0 0 0 0 0 0 0 0.972600 5.928100 6.840300 1XA 0 0.00000 0.00000 FAGB H41A 36
41 28 1 0 0 0 0 0 0 0 0 0 0 1.925700 6.175300 8.305900 1XA 0 0.00000 0.00000 FAGB H42A 37
41 28 1 0 0 0 0 0 0 0 0 0 0 2.539400 5.161900 6.906800 1XA 0 0.00000 0.00000 FAGB H43A 38
41 29 1 0 0 0 0 0 0 0 0 0 0 1.989600 9.269400 6.279000 1XA 0 0.00000 0.00000 FAGB H51A 39
41 29 1 0 0 0 0 0 0 0 0 0 0 0.705000 8.192400 6.779200 1XA 0 0.00000 0.00000 FAGB H52A 40
41 29 1 0 0 0 0 0 0 0 0 0 0 1.319000 8.049900 5.121800 1XA 0 0.00000 0.00000 FAGB H53A 41
26 [FAGCOF,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 2 4 2 5 1 15 1 0 0 0 0 3.185800 4.863700 1.688100 1XA 0 1.33280 1.33280 UNCH S1 1
15 6 2 0 0 0 0 0 0 0 0 0 0 3.410300 2.997400 4.220300 1XA 0 -0.57000 -0.57000 UNCH O1 2
15 1 2 0 0 0 0 0 0 0 0 0 0 1.889900 5.191600 2.242900 1XA 0 -0.65000 -0.65000 UNCH O2 3
15 1 2 0 0 0 0 0 0 0 0 0 0 3.774800 5.694500 0.658000 1XA 0 -0.65000 -0.65000 UNCH O3 4
25 1 1 6 1 8 1 0 0 0 0 0 0 4.277900 4.782700 2.943500 1XA 0 -0.68130 -0.68130 UNCH N1 5
2 2 2 5 1 7 1 0 0 0 0 0 0 4.018900 4.033600 4.098800 1XA 0 0.75330 0.75330 UNCH C2 6
3 6 1 8 1 16 1 17 1 0 0 0 0 4.761200 5.048500 4.995400 1XA 0 0.05300 0.05300 UNCH C3 7
3 5 1 7 1 9 1 18 1 0 0 0 0 4.782600 5.947600 3.733900 1XA 0 0.41500 0.41500 UNCH C4 8
2 8 1 10 2 14 1 0 0 0 0 0 0 6.183700 6.575800 3.331700 1XA 0 -0.10800 -0.10800 UNCH C5 9
2 9 2 11 1 19 1 0 0 0 0 0 0 6.837700 7.489700 4.186600 1XA 0 -0.15000 -0.15000 UNCH C6 10
2 10 1 12 2 20 1 0 0 0 0 0 0 8.074900 8.057200 3.866600 1XA 0 -0.15000 -0.15000 UNCH C7 11
2 11 2 13 1 21 1 0 0 0 0 0 0 8.699800 7.728800 2.669800 1XA 0 -0.15000 -0.15000 UNCH C8 12
2 12 1 14 2 22 1 0 0 0 0 0 0 8.085600 6.838500 1.797200 1XA 0 -0.15000 -0.15000 UNCH C9 13
2 9 1 13 2 23 1 0 0 0 0 0 0 6.848700 6.274700 2.126300 1XA 0 -0.15000 -0.15000 UNCH C10 14
3 1 1 24 1 25 1 26 1 0 0 0 0 3.155400 3.191500 1.074300 1XA 0 0.10520 0.10520 UNCH C12 15
41 7 1 0 0 0 0 0 0 0 0 0 0 5.727200 4.680200 5.351600 1XA 0 0.00000 0.00000 UNCH H31 16
41 7 1 0 0 0 0 0 0 0 0 0 0 4.168600 5.430800 5.829500 1XA 0 0.00000 0.00000 UNCH H32 17
41 8 1 0 0 0 0 0 0 0 0 0 0 4.009600 6.729600 3.785600 1XA 0 0.00000 0.00000 UNCH H4 18
41 10 1 0 0 0 0 0 0 0 0 0 0 6.367900 7.770800 5.128100 1XA 0 0.15000 0.15000 UNCH H6 19
41 11 1 0 0 0 0 0 0 0 0 0 0 8.545500 8.758400 4.551100 1XA 0 0.15000 0.15000 UNCH H7 20
41 12 1 0 0 0 0 0 0 0 0 0 0 9.659000 8.170400 2.413600 1XA 0 0.15000 0.15000 UNCH H8 21
41 13 1 0 0 0 0 0 0 0 0 0 0 8.561600 6.583700 0.853500 1XA 0 0.15000 0.15000 UNCH H9 22
41 14 1 0 0 0 0 0 0 0 0 0 0 6.390300 5.590700 1.413900 1XA 0 0.15000 0.15000 UNCH H10 23
41 15 1 0 0 0 0 0 0 0 0 0 0 2.549800 3.183200 0.165000 1XA 0 0.00000 0.00000 UNCH H121 24
41 15 1 0 0 0 0 0 0 0 0 0 0 2.703100 2.533500 1.816200 1XA 0 0.00000 0.00000 UNCH H122 25
41 15 1 0 0 0 0 0 0 0 0 0 0 4.175600 2.883200 0.838200 1XA 0 0.00000 0.00000 UNCH H123 26
14 [FAGLII,14,14,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 2 1 0 0 0 0 0 0 0 0 0 0 2.427900 1.760600 -0.158200 1XA 0 -0.21120 -0.21120 UNCH CL1 1
53 1 1 3 1 4 1 0 0 0 0 0 0 1.270400 3.333000 -0.941400 1XA 0 0.41320 0.41320 UNCH P1 2
16 2 1 5 1 0 0 0 0 0 0 0 0 -0.052600 3.188900 0.021400 1XA 0 -0.18350 -0.18350 UNCH O1 3
16 2 1 10 1 0 0 0 0 0 0 0 0 1.931200 4.584700 -0.108000 1XA 0 -0.18350 -0.18350 UNCH O2 4
2 3 1 6 2 10 1 0 0 0 0 0 0 -0.016400 4.135300 1.007300 1XA 0 0.08250 0.08250 UNCH C1 5
2 5 2 7 1 11 1 0 0 0 0 0 0 -0.968100 4.316900 1.988400 1XA 0 -0.15000 -0.15000 UNCH C2 6
2 6 1 8 2 12 1 0 0 0 0 0 0 -0.753500 5.341300 2.915200 1XA 0 -0.15000 -0.15000 UNCH C3 7
2 7 2 9 1 13 1 0 0 0 0 0 0 0.396600 6.150500 2.840300 1XA 0 -0.15000 -0.15000 UNCH C4 8
2 8 1 10 2 14 1 0 0 0 0 0 0 1.349200 5.947500 1.837300 1XA 0 -0.15000 -0.15000 UNCH C5 9
2 4 1 5 1 9 2 0 0 0 0 0 0 1.116500 4.932500 0.933500 1XA 0 0.08250 0.08250 UNCH C6 10
41 6 1 0 0 0 0 0 0 0 0 0 0 -1.848400 3.686400 2.039900 1XA 0 0.15000 0.15000 UNCH H2 11
41 7 1 0 0 0 0 0 0 0 0 0 0 -1.480900 5.514700 3.705500 1XA 0 0.15000 0.15000 UNCH H3 12
41 8 1 0 0 0 0 0 0 0 0 0 0 0.545400 6.940500 3.573400 1XA 0 0.15000 0.15000 UNCH H4 13
41 9 1 0 0 0 0 0 0 0 0 0 0 2.239300 6.562700 1.773400 1XA 0 0.15000 0.15000 UNCH H5 14
8 [FAGVEO,8,8,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 5 2 0 0 0 0 0 0 0 0 0 0 6.093300 6.543300 3.322700 1XA 0 -0.57000 -0.57000 CHGB O1 1
15 6 2 0 0 0 0 0 0 0 0 0 0 5.548200 6.790100 6.454300 1XA 0 -0.57000 -0.57000 CHGB O2 2
15 7 2 0 0 0 0 0 0 0 0 0 0 4.555500 3.761100 6.520200 1XA 0 -0.57000 -0.57000 CHGB O3 3
15 8 2 0 0 0 0 0 0 0 0 0 0 5.100600 3.514300 3.388700 1XA 0 -0.57000 -0.57000 CHGB O4 4
2 1 2 6 1 8 1 0 0 0 0 0 0 5.687800 5.809700 4.165800 1XA 0 0.57000 0.57000 CHGB C1 5
2 2 2 5 1 7 1 0 0 0 0 0 0 5.430200 5.926400 5.645900 1XA 0 0.57000 0.57000 CHGB C2 6
2 3 2 6 1 8 1 0 0 0 0 0 0 4.961000 4.494700 5.677100 1XA 0 0.57000 0.57000 CHGB C3 7
2 4 2 5 1 7 1 0 0 0 0 0 0 5.218600 4.378100 4.197000 1XA 0 0.57000 0.57000 CHGB C4 8
12 [FAGZOC,12,12,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
58 6 1 0 0 0 0 0 0 0 0 0 0 -0.379600 1.347000 5.688200 1XA 0 -0.11000 -0.11000 FAGZ BR1 1
18 4 1 0 0 0 0 0 0 0 0 0 0 1.354200 1.281600 8.442800 1XA 0 -0.85000 -0.85000 FAGZ O1 2
15 5 2 0 0 0 0 0 0 0 0 0 0 -2.938700 0.135700 6.840700 1XA 0 -0.57000 -0.57000 FAGZ O2 3
2 2 1 6 2 7 1 0 0 0 0 0 0 0.106300 1.032700 8.481600 1XA 0 -0.13560 -0.13560 FAGZ C1 4
2 3 2 6 1 8 1 0 0 0 0 0 0 -2.270100 0.663000 7.736400 1XA 0 0.54120 0.54120 FAGZ C2 5
2 1 1 4 2 5 1 0 0 0 0 0 0 -0.825000 1.001500 7.500300 1XA 0 0.12440 0.12440 FAGZ C3 6
2 4 1 9 2 10 1 0 0 0 0 0 0 -0.480500 0.663300 9.843500 1XA 0 0.54120 0.54120 FAGZ C2M 7
2 5 1 10 2 11 1 0 0 0 0 0 0 -2.856900 1.032600 9.098100 1XA 0 -0.13560 -0.13560 FAGZ C1M 8
15 7 2 0 0 0 0 0 0 0 0 0 0 0.188200 0.136300 10.739300 1XA 0 -0.57000 -0.57000 FAGZ O2M 9
2 7 1 8 2 12 1 0 0 0 0 0 0 -1.925600 1.001700 10.079500 1XA 0 0.12440 0.12440 FAGZ C3M 10
18 8 1 0 0 0 0 0 0 0 0 0 0 -4.104900 1.281400 9.136900 1XA 0 -0.85000 -0.85000 FAGZ O1M 11
58 10 1 0 0 0 0 0 0 0 0 0 0 -2.371000 1.347700 11.891500 1XA 0 -0.11000 -0.11000 FAGZ BR1M 12
29 [FAHPUZ,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 2 3 2 4 1 17 1 0 0 0 0 4.257800 2.407500 12.728400 1XA 0 1.33280 1.33280 FAHN S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 5.401000 3.149200 12.239800 1XA 0 -0.65000 -0.65000 FAHN O1 2
15 1 2 0 0 0 0 0 0 0 0 0 0 4.434900 1.057300 13.234700 1XA 0 -0.65000 -0.65000 FAHN O2 3
25 1 1 5 1 12 1 0 0 0 0 0 0 3.037500 2.351800 11.574800 1XA 0 -0.69270 -0.69270 FAHN N1 4
2 4 1 6 2 10 1 0 0 0 0 0 0 2.888900 3.422700 10.642100 1XA 0 0.19900 0.19900 FAHN C1 5
2 5 2 7 1 18 1 0 0 0 0 0 0 3.845700 3.921300 9.776500 1XA 0 -0.15000 -0.15000 FAHN C2 6
2 6 1 8 2 19 1 0 0 0 0 0 0 3.468600 4.921000 8.876100 1XA 0 -0.15000 -0.15000 FAHN C3 7
2 7 2 9 1 20 1 0 0 0 0 0 0 2.147300 5.392000 8.843700 1XA 0 -0.15000 -0.15000 FAHN C4 8
2 8 1 10 2 21 1 0 0 0 0 0 0 1.185600 4.869600 9.710900 1XA 0 -0.15000 -0.15000 FAHN C5 9
2 5 1 9 2 11 1 0 0 0 0 0 0 1.571100 3.877500 10.602200 1XA 0 -0.14350 -0.14350 FAHN C6 10
3 10 1 12 1 13 1 22 1 0 0 0 0 0.740900 3.207100 11.660300 1XA 0 0.28170 0.28170 FAHN C7 11
3 4 1 11 1 16 1 23 1 0 0 0 0 1.677500 2.000600 12.068300 1XA 0 0.62570 0.62570 FAHN C8 12
2 11 1 14 2 24 1 0 0 0 0 0 0 0.462100 4.159000 12.805700 1XA 0 -0.28820 -0.28820 FAHN C9 13
2 13 2 15 1 25 1 0 0 0 0 0 0 1.069600 4.008700 13.994800 1XA 0 -0.28820 -0.28820 FAHN C10 14
3 14 1 16 1 17 1 26 1 0 0 0 0 2.038200 2.877300 14.261100 1XA 0 0.40820 0.40820 FAHN C11 15
26 12 1 15 1 29 1 0 0 0 0 0 0 1.619800 1.698500 13.494800 1XA 0 -0.90000 -0.90000 FAHN N2 16
3 1 1 15 1 27 1 28 1 0 0 0 0 3.480500 3.340100 14.028500 1XA 0 0.10520 0.10520 FAHN C12 17
41 6 1 0 0 0 0 0 0 0 0 0 0 4.862500 3.541600 9.777700 1XA 0 0.15000 0.15000 FAHN H2 18
41 7 1 0 0 0 0 0 0 0 0 0 0 4.205400 5.331000 8.189000 1XA 0 0.15000 0.15000 FAHN H3 19
41 8 1 0 0 0 0 0 0 0 0 0 0 1.872100 6.170400 8.135300 1XA 0 0.15000 0.15000 FAHN H4 20
41 9 1 0 0 0 0 0 0 0 0 0 0 0.165400 5.239800 9.688100 1XA 0 0.15000 0.15000 FAHN H5 21
41 11 1 0 0 0 0 0 0 0 0 0 0 -0.203600 2.822200 11.259900 1XA 0 0.00000 0.00000 FAHN H7 22
41 12 1 0 0 0 0 0 0 0 0 0 0 1.357900 1.107600 11.514500 1XA 0 0.00000 0.00000 FAHN H8 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -0.231000 4.978200 12.639700 1XA 0 0.15000 0.15000 FAHN H9 24
41 14 1 0 0 0 0 0 0 0 0 0 0 0.881500 4.718000 14.796800 1XA 0 0.15000 0.15000 FAHN H10 25
41 15 1 0 0 0 0 0 0 0 0 0 0 1.926900 2.621800 15.322300 1XA 0 0.00000 0.00000 FAHN H11 26
41 17 1 0 0 0 0 0 0 0 0 0 0 3.554500 4.398500 13.756300 1XA 0 0.00000 0.00000 FAHN H121 27
41 17 1 0 0 0 0 0 0 0 0 0 0 4.088500 3.171600 14.924200 1XA 0 0.00000 0.00000 FAHN H122 28
43 16 1 0 0 0 0 0 0 0 0 0 0 2.248300 0.911100 13.680000 1XA 0 0.36000 0.36000 FAHN H13 29
26 [FAHSUC,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 6 2 2 1 0 0 0 0 0 0 0 0 1.658000 4.193500 0.002900 1XA 0 -0.62000 -0.62000 FAHS N1 1
2 1 1 21 1 3 2 0 0 0 0 0 0 1.294500 5.499000 0.003100 1XA 0 0.52100 0.52100 FAHS C2 2
31 2 2 12 1 4 1 0 0 0 0 0 0 2.140700 6.549800 0.015900 1XA 0 -0.21000 -0.21000 FAHS N3 3
2 3 1 9 1 5 2 0 0 0 0 0 0 3.453800 6.265900 0.022000 1XA 0 0.47800 0.47800 FAHS C4 4
2 4 2 7 1 6 1 0 0 0 0 0 0 3.873500 4.933600 0.022200 1XA 0 0.11700 0.11700 FAHS C5 5
2 1 2 5 1 13 1 0 0 0 0 0 0 2.968400 3.897600 0.022300 1XA 0 0.41000 0.41000 FAHS C6 6
25 5 1 20 1 8 1 0 0 0 0 0 0 5.264100 4.895100 0.001100 1XA 0 -0.54700 -0.54700 FAHS N7 7
2 7 1 10 2 9 1 0 0 0 0 0 0 5.748300 6.202500 -0.014300 1XA 0 0.69000 0.69000 FAHS C8 8
25 4 1 8 1 11 1 0 0 0 0 0 0 4.621000 7.053300 0.013800 1XA 0 -0.47710 -0.47710 FAHS N9 9
15 8 2 0 0 0 0 0 0 0 0 0 0 6.919100 6.527900 -0.050300 1XA 0 -0.57000 -0.57000 FAHS O10 10
3 9 1 24 1 22 1 19 1 0 0 0 0 4.720800 8.482900 -0.014300 1XA 0 0.30010 0.30010 FAHS C11 11
3 3 1 25 1 17 1 15 1 0 0 0 0 1.618100 7.910300 0.010800 1XA 0 0.48800 0.48800 FAHS C12 12
25 6 1 23 1 14 1 0 0 0 0 0 0 3.414500 2.577000 -0.032000 1XA 0 -0.86910 -0.86910 FAHS N13 13
3 13 1 26 1 18 1 16 1 0 0 0 0 2.379000 1.552300 -0.014600 1XA 0 0.36910 0.36910 FAHS C14 14
41 12 1 0 0 0 0 0 0 0 0 0 0 1.969200 8.415900 0.912700 1XA 0 0.00000 0.00000 FAHS H1 15
41 14 1 0 0 0 0 0 0 0 0 0 0 2.851000 0.566900 -0.079400 1XA 0 0.00000 0.00000 FAHS H2 16
41 12 1 0 0 0 0 0 0 0 0 0 0 0.525000 7.893300 0.013900 1XA 0 0.00000 0.00000 FAHS H3 17
41 14 1 0 0 0 0 0 0 0 0 0 0 1.800400 1.586700 0.914800 1XA 0 0.00000 0.00000 FAHS H4 18
41 11 1 0 0 0 0 0 0 0 0 0 0 4.231900 8.899900 0.869600 1XA 0 0.00000 0.00000 FAHS H5 19
43 7 1 0 0 0 0 0 0 0 0 0 0 5.851200 4.074000 -0.062400 1XA 0 0.37000 0.37000 FAHS H6 20
41 2 1 0 0 0 0 0 0 0 0 0 0 0.224400 5.693900 -0.011100 1XA 0 0.15000 0.15000 FAHS H7 21
41 11 1 0 0 0 0 0 0 0 0 0 0 5.768700 8.796600 -0.010700 1XA 0 0.00000 0.00000 FAHS H8 22
43 13 1 0 0 0 0 0 0 0 0 0 0 4.127900 2.395200 0.670900 1XA 0 0.40000 0.40000 FAHS H9 23
41 11 1 0 0 0 0 0 0 0 0 0 0 4.249800 8.862100 -0.924700 1XA 0 0.00000 0.00000 FAHS H5L 24
41 12 1 0 0 0 0 0 0 0 0 0 0 1.965700 8.408200 -0.896800 1XA 0 0.00000 0.00000 FAHS H1L 25
41 14 1 0 0 0 0 0 0 0 0 0 0 1.704600 1.651700 -0.871900 1XA 0 0.00000 0.00000 FAHS H4L 26
23 [FAHYUI,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 11 1 10 1 0 0 0 0 0 0 0 0 2.698500 3.314000 6.030000 1XA 0 -0.37100 -0.37100 FAHY S1 1
18 3 1 0 0 0 0 0 0 0 0 0 0 1.027400 2.560200 8.188700 1XA 0 -0.63300 -0.63300 FAHY O1 2
31 2 1 12 1 10 2 0 0 0 0 0 0 1.545800 3.722300 8.335200 1XA 0 0.53000 0.53000 FAHY N1 3
2 10 1 9 1 5 2 0 0 0 0 0 0 2.913000 5.616100 7.540400 1XA 0 0.08620 0.08620 FAHY C1 4
2 4 2 13 1 6 1 0 0 0 0 0 0 4.288300 5.748100 7.745600 1XA 0 -0.15000 -0.15000 FAHY C2 5
2 5 1 14 1 7 2 0 0 0 0 0 0 4.846000 7.021400 7.858800 1XA 0 -0.15000 -0.15000 FAHY C3 6
2 6 2 15 1 8 1 0 0 0 0 0 0 4.032600 8.151700 7.761300 1XA 0 -0.15000 -0.15000 FAHY C4 7
2 7 1 16 1 9 2 0 0 0 0 0 0 2.660200 8.013900 7.545100 1XA 0 -0.15000 -0.15000 FAHY C5 8
2 4 1 8 2 17 1 0 0 0 0 0 0 2.095300 6.743700 7.431000 1XA 0 -0.15000 -0.15000 FAHY C6 9
2 1 1 3 2 4 1 0 0 0 0 0 0 2.327600 4.283900 7.428100 1XA 0 0.05880 0.05880 FAHY C7 10
3 1 1 20 1 19 1 18 1 0 0 0 0 1.144200 3.470600 5.121300 1XA 0 0.23000 0.23000 FAHY C8 11
3 3 1 23 1 22 1 21 1 0 0 0 0 1.208700 4.411300 9.602300 1XA 0 0.09900 0.09900 FAHY C9 12
41 5 1 0 0 0 0 0 0 0 0 0 0 4.927200 4.870800 7.815600 1XA 0 0.15000 0.15000 FAHY H2 13
41 6 1 0 0 0 0 0 0 0 0 0 0 5.915800 7.133700 8.017800 1XA 0 0.15000 0.15000 FAHY H3 14
41 7 1 0 0 0 0 0 0 0 0 0 0 4.471500 9.143300 7.845900 1XA 0 0.15000 0.15000 FAHY H4 15
41 8 1 0 0 0 0 0 0 0 0 0 0 2.034100 8.898900 7.459000 1XA 0 0.15000 0.15000 FAHY H5 16
41 9 1 0 0 0 0 0 0 0 0 0 0 1.028800 6.646300 7.246600 1XA 0 0.15000 0.15000 FAHY H6 17
41 11 1 0 0 0 0 0 0 0 0 0 0 0.916400 4.524200 4.937900 1XA 0 0.00000 0.00000 FAHY H81 18
41 11 1 0 0 0 0 0 0 0 0 0 0 0.316500 3.014900 5.669800 1XA 0 0.00000 0.00000 FAHY H82 19
41 11 1 0 0 0 0 0 0 0 0 0 0 1.239400 2.963600 4.157300 1XA 0 0.00000 0.00000 FAHY H83 20
41 12 1 0 0 0 0 0 0 0 0 0 0 0.729300 3.697600 10.278400 1XA 0 0.00000 0.00000 FAHY H91 21
41 12 1 0 0 0 0 0 0 0 0 0 0 0.514400 5.224900 9.382000 1XA 0 0.00000 0.00000 FAHY H92 22
41 12 1 0 0 0 0 0 0 0 0 0 0 2.125200 4.780800 10.068000 1XA 0 0.00000 0.00000 FAHY H93 23
25 [FAHZET,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 4 2 5 2 6 1 0 0 0 0 3.777000 1.417400 10.042700 1XA 0 1.62170 1.62170 UNCH S1 1
16 1 1 7 1 0 0 0 0 0 0 0 0 3.911400 0.325500 8.853200 1XA 0 -0.26040 -0.26040 UNCH O1 2
15 9 2 0 0 0 0 0 0 0 0 0 0 3.107100 -1.295500 12.564400 1XA 0 -0.57000 -0.57000 UNCH O2 3
15 1 2 0 0 0 0 0 0 0 0 0 0 2.456900 2.005300 9.981800 1XA 0 -0.65000 -0.65000 UNCH O3 4
15 1 2 0 0 0 0 0 0 0 0 0 0 4.962100 2.245000 10.050000 1XA 0 -0.65000 -0.65000 UNCH O4 5
25 1 1 9 1 22 1 0 0 0 0 0 0 3.829600 0.506400 11.411400 1XA 0 -0.79430 -0.79430 UNCH N1 6
2 2 1 8 2 11 1 0 0 0 0 0 0 3.416900 -0.950300 9.012100 1XA 0 0.04830 0.04830 UNCH C1 7
2 7 2 9 1 10 1 0 0 0 0 0 0 3.102800 -1.515500 10.195700 1XA 0 -0.12380 -0.12380 UNCH C2 8
2 3 2 6 1 8 1 0 0 0 0 0 0 3.325800 -0.784400 11.476800 1XA 0 0.79190 0.79190 UNCH C3 9
3 8 1 23 1 24 1 25 1 0 0 0 0 2.529000 -2.894600 10.379500 1XA 0 0.13820 0.13820 UNCH C4 10
2 7 1 12 2 16 1 0 0 0 0 0 0 3.271800 -1.648200 7.728500 1XA 0 0.02840 0.02840 UNCH C5 11
2 11 2 13 1 17 1 0 0 0 0 0 0 2.191500 -1.348600 6.889000 1XA 0 -0.15000 -0.15000 UNCH C6 12
2 12 1 14 2 18 1 0 0 0 0 0 0 2.047100 -2.009000 5.667600 1XA 0 -0.15000 -0.15000 UNCH C7 13
2 13 2 15 1 19 1 0 0 0 0 0 0 2.981700 -2.967200 5.277300 1XA 0 -0.15000 -0.15000 UNCH C8 14
2 14 1 16 2 20 1 0 0 0 0 0 0 4.063800 -3.265100 6.104700 1XA 0 -0.15000 -0.15000 UNCH C9 15
2 11 1 15 2 21 1 0 0 0 0 0 0 4.211200 -2.606600 7.326800 1XA 0 -0.15000 -0.15000 UNCH C10 16
41 12 1 0 0 0 0 0 0 0 0 0 0 1.457600 -0.599400 7.178600 1XA 0 0.15000 0.15000 UNCH H1 17
41 13 1 0 0 0 0 0 0 0 0 0 0 1.207100 -1.773200 5.018800 1XA 0 0.15000 0.15000 UNCH H2 18
41 14 1 0 0 0 0 0 0 0 0 0 0 2.869200 -3.478800 4.324400 1XA 0 0.15000 0.15000 UNCH H3 19
41 15 1 0 0 0 0 0 0 0 0 0 0 4.795100 -4.007700 5.795400 1XA 0 0.15000 0.15000 UNCH H4 20
41 16 1 0 0 0 0 0 0 0 0 0 0 5.064500 -2.843700 7.958000 1XA 0 0.15000 0.15000 UNCH H5 21
43 6 1 0 0 0 0 0 0 0 0 0 0 3.906000 1.025800 12.278200 1XA 0 0.42000 0.42000 UNCH H6 22
41 10 1 0 0 0 0 0 0 0 0 0 0 2.281500 -3.391700 9.437800 1XA 0 0.00000 0.00000 UNCH H7 23
41 10 1 0 0 0 0 0 0 0 0 0 0 3.241100 -3.533400 10.912800 1XA 0 0.00000 0.00000 UNCH H8 24
41 10 1 0 0 0 0 0 0 0 0 0 0 1.602200 -2.846400 10.961900 1XA 0 0.00000 0.00000 UNCH H9 25
18 [FAJWIW,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 7 1 10 1 0 0 0 0 0 0 0 0 2.824900 5.825700 5.055300 1XA 0 -0.43000 -0.43000 UNCH O1 1
15 8 2 0 0 0 0 0 0 0 0 0 0 7.106700 5.382100 3.482900 1XA 0 -0.57000 -0.57000 UNCH O2 2
16 9 1 11 1 0 0 0 0 0 0 0 0 4.176400 2.079500 2.832800 1XA 0 -0.43000 -0.43000 UNCH O3 3
25 8 1 11 1 12 1 0 0 0 0 0 0 5.609900 3.759100 3.181400 1XA 0 -0.49000 -0.49000 UNCH N1 4
25 8 1 10 2 0 0 0 0 0 0 0 0 5.013800 5.705500 4.302500 1XA 0 -0.66100 -0.66100 UNCH N3 5
25 10 1 11 2 0 0 0 0 0 0 0 0 3.451700 3.975300 3.970500 1XA 0 -0.66100 -0.66100 UNCH N5 6
3 1 1 13 1 14 1 15 1 0 0 0 0 3.118300 7.122000 5.582600 1XA 0 0.28000 0.28000 UNCH C1 7
2 2 2 4 1 5 1 0 0 0 0 0 0 5.960800 4.977900 3.653400 1XA 0 0.84100 0.84100 UNCH C2 8
3 3 1 16 1 17 1 18 1 0 0 0 0 2.864900 1.523000 2.983000 1XA 0 0.28000 0.28000 UNCH C3 9
2 1 1 5 2 6 1 0 0 0 0 0 0 3.844000 5.190800 4.427700 1XA 0 0.81100 0.81100 UNCH C4 10
2 3 1 4 1 6 2 0 0 0 0 0 0 4.360400 3.309500 3.363100 1XA 0 0.66000 0.66000 UNCH C6 11
43 4 1 0 0 0 0 0 0 0 0 0 0 6.299000 3.208100 2.698800 1XA 0 0.37000 0.37000 UNCH H1 12
41 7 1 0 0 0 0 0 0 0 0 0 0 3.902600 7.058700 6.343300 1XA 0 0.00000 0.00000 UNCH H11 13
41 7 1 0 0 0 0 0 0 0 0 0 0 3.405800 7.807400 4.779300 1XA 0 0.00000 0.00000 UNCH H12 14
41 7 1 0 0 0 0 0 0 0 0 0 0 2.210300 7.506700 6.055200 1XA 0 0.00000 0.00000 UNCH H13 15
41 9 1 0 0 0 0 0 0 0 0 0 0 2.862200 0.536400 2.511600 1XA 0 0.00000 0.00000 UNCH H31 16
41 9 1 0 0 0 0 0 0 0 0 0 0 2.619900 1.401200 4.042700 1XA 0 0.00000 0.00000 UNCH H32 17
41 9 1 0 0 0 0 0 0 0 0 0 0 2.123100 2.149900 2.478600 1XA 0 0.00000 0.00000 UNCH H33 18
28 [FAMHAC,28,28,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 2 0 0 0 0 0 0 0 0 0 0 -2.747500 -1.551000 10.688100 1XA 0 -0.67730 -0.67730 UNCH S1 1
53 1 2 3 1 4 1 9 1 0 0 0 0 -1.887100 -0.575400 9.235000 1XA 0 1.35540 1.35540 UNCH P1 2
16 2 1 7 1 0 0 0 0 0 0 0 0 -0.278600 -0.403100 9.508400 1XA 0 -0.55120 -0.55120 UNCH O1 3
25 2 1 5 1 6 1 0 0 0 0 0 0 -1.944400 -1.231100 7.699200 1XA 0 -0.80790 -0.80790 UNCH N1 4
3 4 1 15 1 16 1 17 1 0 0 0 0 -1.316900 -0.488500 6.606300 1XA 0 0.27000 0.27000 UNCH C1 5
3 4 1 18 1 19 1 20 1 0 0 0 0 -1.552000 -2.638100 7.587400 1XA 0 0.27000 0.27000 UNCH C2 6
3 3 1 8 1 14 1 21 1 0 0 0 0 0.129600 0.965800 9.708900 1XA 0 0.42350 0.42350 UNCH C3 7
2 7 1 9 2 13 1 0 0 0 0 0 0 -1.043100 1.858200 9.386100 1XA 0 -0.14350 -0.14350 UNCH C4 8
2 2 1 8 2 10 1 0 0 0 0 0 0 -2.216900 1.149800 9.103700 1XA 0 -0.13900 -0.13900 UNCH C5 9
2 9 1 11 2 22 1 0 0 0 0 0 0 -3.399400 1.803400 8.789100 1XA 0 -0.15000 -0.15000 UNCH C6 10
2 10 2 12 1 23 1 0 0 0 0 0 0 -3.398600 3.197400 8.750200 1XA 0 -0.15000 -0.15000 UNCH C7 11
2 11 1 13 2 24 1 0 0 0 0 0 0 -2.225800 3.914500 9.025100 1XA 0 -0.15000 -0.15000 UNCH C8 12
2 8 1 12 2 25 1 0 0 0 0 0 0 -1.040500 3.247100 9.344800 1XA 0 -0.15000 -0.15000 UNCH C9 13
3 7 1 26 1 27 1 28 1 0 0 0 0 0.611800 1.119600 11.142500 1XA 0 0.00000 0.00000 UNCH C10 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -0.231800 -0.421200 6.737200 1XA 0 0.00000 0.00000 UNCH H11 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -1.717800 0.526400 6.537000 1XA 0 0.00000 0.00000 UNCH H12 16
41 5 1 0 0 0 0 0 0 0 0 0 0 -1.521800 -0.957300 5.637100 1XA 0 0.00000 0.00000 UNCH H13 17
41 6 1 0 0 0 0 0 0 0 0 0 0 -1.732900 -3.025200 6.578300 1XA 0 0.00000 0.00000 UNCH H21 18
41 6 1 0 0 0 0 0 0 0 0 0 0 -0.493100 -2.776200 7.830900 1XA 0 0.00000 0.00000 UNCH H22 19
41 6 1 0 0 0 0 0 0 0 0 0 0 -2.143400 -3.265200 8.260600 1XA 0 0.00000 0.00000 UNCH H23 20
41 7 1 0 0 0 0 0 0 0 0 0 0 0.943700 1.165300 9.004200 1XA 0 0.00000 0.00000 UNCH H3 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -4.305000 1.240900 8.580500 1XA 0 0.15000 0.15000 UNCH H6 22
41 11 1 0 0 0 0 0 0 0 0 0 0 -4.314000 3.732900 8.508300 1XA 0 0.15000 0.15000 UNCH H7 23
41 12 1 0 0 0 0 0 0 0 0 0 0 -2.241800 5.001800 8.992600 1XA 0 0.15000 0.15000 UNCH H8 24
41 13 1 0 0 0 0 0 0 0 0 0 0 -0.138500 3.813900 9.558200 1XA 0 0.15000 0.15000 UNCH H9 25
41 14 1 0 0 0 0 0 0 0 0 0 0 0.969600 2.134600 11.342300 1XA 0 0.00000 0.00000 UNCH H101 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -0.188100 0.891600 11.856400 1XA 0 0.00000 0.00000 UNCH H102 27
41 14 1 0 0 0 0 0 0 0 0 0 0 1.426300 0.416600 11.347700 1XA 0 0.00000 0.00000 UNCH H103 28
12 [FAMYUN,12,12,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
58 2 1 0 0 0 0 0 0 0 0 0 0 -0.029500 2.152900 5.755200 1XA 0 0.00600 0.00600 FAMY BR1 1
25 1 1 3 1 7 1 0 0 0 0 0 0 0.045600 3.552000 6.990100 1XA 0 -0.12600 -0.12600 FAMY N1 2
2 2 1 4 2 5 1 0 0 0 0 0 0 0.925100 3.581900 8.034500 1XA 0 0.56900 0.56900 FAMY C2 3
15 3 2 0 0 0 0 0 0 0 0 0 0 1.770700 2.751000 8.333400 1XA 0 -0.57000 -0.57000 FAMY O2 4
3 3 1 6 1 9 1 10 1 0 0 0 0 0.698000 4.846600 8.808700 1XA 0 0.06100 0.06100 FAMY C3 5
3 5 1 7 1 11 1 12 1 0 0 0 0 -0.430000 5.551400 8.078900 1XA 0 0.06100 0.06100 FAMY C4 6
2 2 1 6 1 8 2 0 0 0 0 0 0 -0.773800 4.643300 6.935300 1XA 0 0.56900 0.56900 FAMY C5 7
15 7 2 0 0 0 0 0 0 0 0 0 0 -1.650800 4.888700 6.119600 1XA 0 -0.57000 -0.57000 FAMY O5 8
41 5 1 0 0 0 0 0 0 0 0 0 0 0.417200 4.606100 9.838300 1XA 0 0.00000 0.00000 FAMY H31 9
41 5 1 0 0 0 0 0 0 0 0 0 0 1.610300 5.450200 8.809400 1XA 0 0.00000 0.00000 FAMY H32 10
41 6 1 0 0 0 0 0 0 0 0 0 0 -1.303000 5.680900 8.725200 1XA 0 0.00000 0.00000 FAMY H41 11
41 6 1 0 0 0 0 0 0 0 0 0 0 -0.109900 6.525000 7.696300 1XA 0 0.00000 0.00000 FAMY H42 12
13 [FAPLUD,13,13,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 8 2 7 1 3 1 2 1 0 0 0 0 3.225700 1.060400 2.149200 1XA 0 1.88930 1.88930 FAPL P1 1
25 1 1 11 1 6 1 0 0 0 0 0 0 2.968200 0.635500 0.555800 1XA 0 -0.68600 -0.68600 FAPL N1 2
25 1 1 12 1 5 1 0 0 0 0 0 0 2.701700 2.641800 2.046000 1XA 0 -0.68600 -0.68600 FAPL N2 3
25 13 1 6 1 5 1 0 0 0 0 0 0 1.161100 2.060000 0.434300 1XA 0 -0.49000 -0.49000 FAPL N3 4
2 3 1 4 1 9 2 0 0 0 0 0 0 1.648100 2.986800 1.296100 1XA 0 0.69000 0.69000 FAPL C1 5
2 2 1 4 1 10 2 0 0 0 0 0 0 1.902400 1.072300 -0.125900 1XA 0 0.69000 0.69000 FAPL C2 6
51 1 1 0 0 0 0 0 0 0 0 0 0 5.122500 0.996100 2.575100 1XA 0 -0.67730 -0.67730 FAPL S1 7
15 1 2 0 0 0 0 0 0 0 0 0 0 2.259500 0.292100 3.010900 1XA 0 -0.70000 -0.70000 FAPL O1 8
15 5 2 0 0 0 0 0 0 0 0 0 0 1.172800 4.115700 1.358900 1XA 0 -0.57000 -0.57000 FAPL O2 9
15 6 2 0 0 0 0 0 0 0 0 0 0 1.636800 0.622600 -1.235700 1XA 0 -0.57000 -0.57000 FAPL O3 10
43 2 1 0 0 0 0 0 0 0 0 0 0 3.470100 -0.146300 0.172700 1XA 0 0.37000 0.37000 FAPL H1 11
43 3 1 0 0 0 0 0 0 0 0 0 0 3.011800 3.303900 2.735400 1XA 0 0.37000 0.37000 FAPL H2 12
43 4 1 0 0 0 0 0 0 0 0 0 0 0.423200 2.407600 -0.165600 1XA 0 0.37000 0.37000 FAPL H3 13
24 [FARMAM,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 16 1 17 1 0 0 0 0 0 0 7.857800 6.742500 2.177000 1XA 0 -0.18100 -0.18100 UNCH C1 1
2 1 2 3 1 18 1 0 0 0 0 0 0 7.465500 6.813500 3.460700 1XA 0 -0.15000 -0.15000 UNCH C2 2
2 2 1 4 2 19 1 0 0 0 0 0 0 7.413400 5.593500 4.253300 1XA 0 -0.15000 -0.15000 UNCH C3 3
2 3 2 5 1 20 1 0 0 0 0 0 0 7.748300 4.396800 3.732200 1XA 0 -0.10500 -0.10500 UNCH C4 4
2 4 1 6 2 16 1 0 0 0 0 0 0 8.165500 4.308700 2.373300 1XA 0 0.14150 0.14150 UNCH C41 5
25 5 2 7 1 0 0 0 0 0 0 0 0 8.539200 3.273200 1.640500 1XA 0 -0.56530 -0.56530 UNCH N5 6
2 6 1 8 1 15 2 0 0 0 0 0 0 8.820600 3.806900 0.423800 1XA 0 0.45440 0.45440 UNCH C51 7
25 7 1 9 2 0 0 0 0 0 0 0 0 9.247900 3.343800 -0.779200 1XA 0 -0.56530 -0.56530 UNCH N6 8
2 8 2 10 1 14 1 0 0 0 0 0 0 9.312100 4.422900 -1.540900 1XA 0 0.14150 0.14150 UNCH C61 9
2 9 1 11 2 21 1 0 0 0 0 0 0 9.691900 4.590400 -2.903300 1XA 0 -0.10500 -0.10500 UNCH C7 10
2 10 2 12 1 22 1 0 0 0 0 0 0 9.672000 5.818500 -3.457600 1XA 0 -0.15000 -0.15000 UNCH C8 11
2 11 1 13 2 23 1 0 0 0 0 0 0 9.269400 6.993200 -2.697800 1XA 0 -0.15000 -0.15000 UNCH C9 12
2 12 2 14 1 24 1 0 0 0 0 0 0 8.908900 6.847200 -1.411100 1XA 0 -0.18100 -0.18100 UNCH C10 13
25 9 1 13 1 15 1 0 0 0 0 0 0 8.930900 5.577200 -0.842900 1XA 0 0.33420 0.33420 UNCH N11 14
2 7 2 14 1 16 1 0 0 0 0 0 0 8.624300 5.148100 0.405500 1XA 0 -0.30320 -0.30320 UNCH C111 15
25 1 1 5 1 15 1 0 0 0 0 0 0 8.202800 5.504700 1.643100 1XA 0 0.33420 0.33420 UNCH N12 16
41 1 1 0 0 0 0 0 0 0 0 0 0 7.919000 7.608600 1.533200 1XA 0 0.15000 0.15000 UNCH H1 17
41 2 1 0 0 0 0 0 0 0 0 0 0 7.185900 7.752900 3.926000 1XA 0 0.15000 0.15000 UNCH H2 18
41 3 1 0 0 0 0 0 0 0 0 0 0 7.093500 5.674400 5.288200 1XA 0 0.15000 0.15000 UNCH H3 19
41 4 1 0 0 0 0 0 0 0 0 0 0 7.710100 3.487100 4.320700 1XA 0 0.15000 0.15000 UNCH H4 20
41 10 1 0 0 0 0 0 0 0 0 0 0 9.991400 3.714300 -3.467400 1XA 0 0.15000 0.15000 UNCH H7 21
41 11 1 0 0 0 0 0 0 0 0 0 0 9.959300 5.959900 -4.495500 1XA 0 0.15000 0.15000 UNCH H8 22
41 12 1 0 0 0 0 0 0 0 0 0 0 9.270000 7.960500 -3.189100 1XA 0 0.15000 0.15000 UNCH H9 23
41 13 1 0 0 0 0 0 0 0 0 0 0 8.599600 7.676400 -0.790500 1XA 0 0.15000 0.15000 UNCH H10 24
22 [FARSOG,22,22,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 5 1 0 0 0 0 0 0 0 0 3.049500 6.216600 2.618000 1XA 0 0.44140 0.44140 FARS S1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 3.501700 4.951700 1.632800 1XA 0 -0.50950 -0.50950 FARS N1 2
2 2 2 4 1 6 1 0 0 0 0 0 0 3.994800 5.501400 0.519800 1XA 0 0.24280 0.24280 FARS C1 3
2 3 1 5 2 7 1 0 0 0 0 0 0 4.001800 6.966000 0.535000 1XA 0 0.24280 0.24280 FARS C2 4
25 1 1 4 2 0 0 0 0 0 0 0 0 3.513800 7.497300 1.659200 1XA 0 -0.50950 -0.50950 FARS N2 5
2 3 1 8 2 14 1 0 0 0 0 0 0 4.530900 4.741200 -0.604500 1XA 0 0.09200 0.09200 FARS C3 6
2 4 1 9 2 15 1 0 0 0 0 0 0 4.545200 7.744100 -0.573500 1XA 0 0.09200 0.09200 FARS C4 7
2 6 2 10 1 16 1 0 0 0 0 0 0 4.170800 3.461200 -0.895200 1XA 0 0.13000 0.13000 FARS C5 8
2 7 2 11 1 17 1 0 0 0 0 0 0 4.197400 9.033200 -0.837600 1XA 0 0.13000 0.13000 FARS C6 9
1 8 1 12 3 0 0 0 0 0 0 0 0 3.195800 2.742600 -0.139600 1XA 0 0.49210 0.49210 FARS C7 10
1 9 1 13 3 0 0 0 0 0 0 0 0 3.229100 9.745200 -0.067200 1XA 0 0.49210 0.49210 FARS C8 11
24 10 3 0 0 0 0 0 0 0 0 0 0 2.386600 2.139200 0.432800 1XA 0 -0.55710 -0.55710 FARS N3 12
24 11 3 0 0 0 0 0 0 0 0 0 0 2.425700 10.344400 0.517600 1XA 0 -0.55710 -0.55710 FARS N4 13
2 6 1 15 1 18 2 0 0 0 0 0 0 5.489700 5.514000 -1.387400 1XA 0 0.24280 0.24280 FARS C1B 14
2 7 1 14 1 19 2 0 0 0 0 0 0 5.496600 6.978600 -1.372300 1XA 0 0.24280 0.24280 FARS C2B 15
1 8 1 20 3 0 0 0 0 0 0 0 0 4.676100 2.755100 -2.028400 1XA 0 0.49210 0.49210 FARS C7B 16
1 9 1 21 3 0 0 0 0 0 0 0 0 4.709500 9.757700 -1.956000 1XA 0 0.49210 0.49210 FARS C8B 17
25 14 2 22 1 0 0 0 0 0 0 0 0 6.456100 4.976500 -2.136700 1XA 0 -0.50950 -0.50950 FARS N1B 18
25 15 2 22 1 0 0 0 0 0 0 0 0 6.468200 7.522100 -2.110400 1XA 0 -0.50950 -0.50950 FARS N2B 19
24 16 3 0 0 0 0 0 0 0 0 0 0 5.042400 2.161500 -2.955700 1XA 0 -0.55710 -0.55710 FARS N3B 20
24 17 3 0 0 0 0 0 0 0 0 0 0 5.081500 10.366800 -2.870900 1XA 0 -0.55710 -0.55710 FARS N4B 21
49 18 1 19 1 0 0 0 0 0 0 0 0 7.296500 6.252400 -2.800800 1XA 0 0.44140 0.44140 FARS S1B 22
12 [FARWEA,12,12,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 5 2 0 0 0 0 0 0 0 0 0 0 0.656800 0.726100 12.361600 1XA 0 -0.75000 -0.75000 CHGB S1 1
51 5 1 0 0 0 0 0 0 0 0 0 0 1.243300 2.236200 9.833600 1XA 0 -0.75000 -0.75000 CHGB S2 2
25 5 1 6 2 0 0 0 0 0 0 0 0 0.275000 3.269700 12.148300 1XA 0 -0.80800 -0.80800 CHGB N1 3
25 6 1 8 1 9 1 0 0 0 0 0 0 1.403800 5.023800 10.988800 1XA 0 -0.85000 -0.85000 CHGB N2 4
2 1 2 2 1 3 1 0 0 0 0 0 0 0.735600 2.151500 11.451300 1XA 0 0.85800 0.85800 CHGB C1 5
2 3 2 4 1 7 1 0 0 0 0 0 0 0.549800 4.508000 11.926200 1XA 0 0.43900 0.43900 CHGB C2 6
3 6 1 10 1 11 1 12 1 0 0 0 0 -0.165300 5.520300 12.795300 1XA 0 0.06100 0.06100 CHGB C3 7
43 4 1 0 0 0 0 0 0 0 0 0 0 1.064500 5.851100 10.518800 1XA 0 0.40000 0.40000 CHGB H1 8
43 4 1 0 0 0 0 0 0 0 0 0 0 1.644200 4.293200 10.307700 1XA 0 0.40000 0.40000 CHGB H2 9
41 7 1 0 0 0 0 0 0 0 0 0 0 -0.576300 5.042100 13.688900 1XA 0 0.00000 0.00000 CHGB H3 10
41 7 1 0 0 0 0 0 0 0 0 0 0 -0.982000 5.968300 12.221900 1XA 0 0.00000 0.00000 CHGB H4 11
41 7 1 0 0 0 0 0 0 0 0 0 0 0.530300 6.307100 13.100900 1XA 0 0.00000 0.00000 CHGB H5 12
15 [FASGUB,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 4 1 6 1 0 0 0 0 0 0 1.546300 0.328900 0.540400 1XA 0 0.55000 0.55000 UNCH C1 1
25 1 2 3 1 0 0 0 0 0 0 0 0 1.543400 1.359700 -0.270000 1XA 0 -0.50300 -0.50300 UNCH N1 2
26 2 1 8 1 9 1 0 0 0 0 0 0 2.091900 1.123400 -1.496400 1XA 0 -0.66700 -0.66700 UNCH N2 3
25 1 1 5 1 10 1 0 0 0 0 0 0 2.093800 -0.899900 0.202600 1XA 0 -0.46100 -0.46100 UNCH N3 4
26 4 1 11 1 12 1 0 0 0 0 0 0 2.557300 -1.738600 1.250000 1XA 0 -0.70900 -0.70900 UNCH N4 5
25 1 1 7 1 13 1 0 0 0 0 0 0 1.012000 0.362900 1.816000 1XA 0 -0.46100 -0.46100 UNCH N5 6
26 6 1 14 1 15 1 0 0 0 0 0 0 0.030500 1.350800 2.081000 1XA 0 -0.70900 -0.70900 UNCH N6 7
43 3 1 0 0 0 0 0 0 0 0 0 0 2.326500 2.027100 -1.918700 1XA 0 0.36000 0.36000 UNCH H1 8
43 3 1 0 0 0 0 0 0 0 0 0 0 1.363200 0.753300 -2.115300 1XA 0 0.36000 0.36000 UNCH H2 9
43 4 1 0 0 0 0 0 0 0 0 0 0 2.681300 -0.766800 -0.625900 1XA 0 0.40000 0.40000 UNCH H3 10
43 5 1 0 0 0 0 0 0 0 0 0 0 2.907800 -2.617900 0.863500 1XA 0 0.36000 0.36000 UNCH H4 11
43 5 1 0 0 0 0 0 0 0 0 0 0 3.355300 -1.292500 1.713900 1XA 0 0.36000 0.36000 UNCH H5 12
43 6 1 0 0 0 0 0 0 0 0 0 0 0.859600 -0.582700 2.171900 1XA 0 0.40000 0.40000 UNCH H6 13
43 7 1 0 0 0 0 0 0 0 0 0 0 0.437200 2.257900 1.824100 1XA 0 0.36000 0.36000 UNCH H7 14
43 7 1 0 0 0 0 0 0 0 0 0 0 -0.736900 1.238100 1.412400 1XA 0 0.36000 0.36000 UNCH H8 15
39 [FASJIS,39,39,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 3 1 4 1 6 1 9 1 0 0 0 0 0.642500 2.549100 8.946100 1XA 0 1.48430 1.48430 FASG P1 1
53 5 1 7 1 8 1 10 1 0 0 0 0 -2.286900 3.987800 8.552600 1XA 0 1.50370 1.50370 FASG P2 2
51 1 1 0 0 0 0 0 0 0 0 0 0 2.108100 3.800700 8.587300 1XA 0 -0.67730 -0.67730 FASG S1 3
16 1 1 11 1 0 0 0 0 0 0 0 0 1.113900 1.104100 9.513800 1XA 0 -0.35370 -0.35370 FASG O1 4
18 2 1 0 0 0 0 0 0 0 0 0 0 -2.114900 5.067200 7.525500 1XA 0 -0.70000 -0.70000 FASG O2 5
26 1 1 7 1 17 1 0 0 0 0 0 0 -0.452000 2.193100 7.705700 1XA 0 -0.53790 -0.53790 FASG N1 6
26 2 1 6 1 21 1 0 0 0 0 0 0 -1.914300 2.461000 7.988400 1XA 0 -0.62790 -0.62790 FASG N2 7
26 2 1 9 1 27 1 0 0 0 0 0 0 -1.272400 4.235500 9.855800 1XA 0 -0.62790 -0.62790 FASG N3 8
26 1 1 8 1 18 1 0 0 0 0 0 0 -0.385800 3.069900 10.200200 1XA 0 -0.53790 -0.53790 FASG N4 9
26 2 1 19 1 20 1 0 0 0 0 0 0 -3.803600 3.833500 9.172800 1XA 0 -0.80790 -0.80790 FASG N5 10
2 4 1 12 2 16 1 0 0 0 0 0 0 1.731200 0.098000 8.829600 1XA 0 0.08250 0.08250 FASG C1 11
2 11 2 13 1 22 1 0 0 0 0 0 0 1.653900 -1.163900 9.424300 1XA 0 -0.15000 -0.15000 FASG C2 12
2 12 1 14 2 23 1 0 0 0 0 0 0 2.249400 -2.270100 8.817200 1XA 0 -0.15000 -0.15000 FASG C3 13
2 13 2 15 1 24 1 0 0 0 0 0 0 2.932300 -2.115500 7.613700 1XA 0 -0.15000 -0.15000 FASG C4 14
2 14 1 16 2 25 1 0 0 0 0 0 0 3.021600 -0.855300 7.024800 1XA 0 -0.15000 -0.15000 FASG C5 15
2 11 1 15 2 26 1 0 0 0 0 0 0 2.424000 0.252500 7.633500 1XA 0 -0.15000 -0.15000 FASG C6 16
3 6 1 28 1 29 1 30 1 0 0 0 0 -0.181900 2.646800 6.344100 1XA 0 0.27000 0.27000 FASG C7 17
3 9 1 31 1 32 1 33 1 0 0 0 0 0.195700 3.314000 11.515500 1XA 0 0.27000 0.27000 FASG C8 18
3 10 1 34 1 35 1 36 1 0 0 0 0 -3.994900 3.163800 10.454200 1XA 0 0.27000 0.27000 FASG C9 19
3 10 1 37 1 38 1 39 1 0 0 0 0 -4.636800 5.031500 9.121900 1XA 0 0.27000 0.27000 FASG C10 20
43 7 1 0 0 0 0 0 0 0 0 0 0 -2.229400 1.781900 8.675300 1XA 0 0.36000 0.36000 FASG H1 21
41 12 1 0 0 0 0 0 0 0 0 0 0 1.123600 -1.290100 10.364700 1XA 0 0.15000 0.15000 FASG H2 22
41 13 1 0 0 0 0 0 0 0 0 0 0 2.181600 -3.249300 9.283700 1XA 0 0.15000 0.15000 FASG H3 23
41 14 1 0 0 0 0 0 0 0 0 0 0 3.400000 -2.973500 7.137700 1XA 0 0.15000 0.15000 FASG H4 24
41 15 1 0 0 0 0 0 0 0 0 0 0 3.564900 -0.731400 6.091000 1XA 0 0.15000 0.15000 FASG H5 25
41 16 1 0 0 0 0 0 0 0 0 0 0 2.538900 1.215800 7.151700 1XA 0 0.15000 0.15000 FASG H6 26
43 8 1 0 0 0 0 0 0 0 0 0 0 -0.690800 5.044200 9.623900 1XA 0 0.36000 0.36000 FASG H7 27
41 17 1 0 0 0 0 0 0 0 0 0 0 -0.194500 3.737800 6.262500 1XA 0 0.00000 0.00000 FASG H8 28
41 17 1 0 0 0 0 0 0 0 0 0 0 -0.915500 2.238100 5.639600 1XA 0 0.00000 0.00000 FASG H9 29
41 17 1 0 0 0 0 0 0 0 0 0 0 0.796700 2.293500 6.008000 1XA 0 0.00000 0.00000 FASG H10 30
41 18 1 0 0 0 0 0 0 0 0 0 0 0.846100 4.194800 11.522100 1XA 0 0.00000 0.00000 FASG H11 31
41 18 1 0 0 0 0 0 0 0 0 0 0 -0.589400 3.458900 12.266100 1XA 0 0.00000 0.00000 FASG H12 32
41 18 1 0 0 0 0 0 0 0 0 0 0 0.786600 2.450600 11.837100 1XA 0 0.00000 0.00000 FASG H13 33
41 19 1 0 0 0 0 0 0 0 0 0 0 -3.454700 2.212500 10.483500 1XA 0 0.00000 0.00000 FASG H14 34
41 19 1 0 0 0 0 0 0 0 0 0 0 -5.051200 2.923200 10.618900 1XA 0 0.00000 0.00000 FASG H15 35
41 19 1 0 0 0 0 0 0 0 0 0 0 -3.645900 3.778900 11.290500 1XA 0 0.00000 0.00000 FASG H16 36
41 20 1 0 0 0 0 0 0 0 0 0 0 -4.666100 5.435400 8.104600 1XA 0 0.00000 0.00000 FASG H17 37
41 20 1 0 0 0 0 0 0 0 0 0 0 -4.253100 5.810700 9.789000 1XA 0 0.00000 0.00000 FASG H18 38
41 20 1 0 0 0 0 0 0 0 0 0 0 -5.674600 4.812000 9.396600 1XA 0 0.00000 0.00000 FASG H19 39
35 [FATLIV,35,35,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 2 1 5 1 6 1 7 1 0 0 0 0 -1.800400 -1.739900 9.790500 1XA 0 1.49180 1.49180 FASJ P1 1
18 1 1 0 0 0 0 0 0 0 0 0 0 -1.141800 -2.131500 11.084600 1XA 0 -0.70000 -0.70000 FASJ O1 2
15 8 2 0 0 0 0 0 0 0 0 0 0 -0.765900 1.007300 10.450200 1XA 0 -0.57000 -0.57000 FASJ O2 3
16 13 1 19 1 0 0 0 0 0 0 0 0 0.759900 5.018700 7.604600 1XA 0 -0.36250 -0.36250 FASJ O3 4
25 1 1 8 1 20 1 0 0 0 0 0 0 -0.875900 -0.664700 8.887100 1XA 0 -0.68600 -0.68600 FASJ N1 5
26 1 1 15 1 16 1 0 0 0 0 0 0 -3.319100 -1.094700 9.887500 1XA 0 -0.58390 -0.58390 FASJ N2 6
26 1 1 17 1 18 1 0 0 0 0 0 0 -1.961400 -2.998000 8.713600 1XA 0 -0.58390 -0.58390 FASJ N3 7
2 3 2 5 1 9 1 0 0 0 0 0 0 -0.503200 0.565400 9.339300 1XA 0 0.54380 0.54380 FASJ C1 8
2 8 1 10 2 14 1 0 0 0 0 0 0 0.237000 1.418000 8.367800 1XA 0 0.08620 0.08620 FASJ C2 9
2 9 2 11 1 21 1 0 0 0 0 0 0 1.050400 0.866900 7.369200 1XA 0 -0.15000 -0.15000 FASJ C3 10
2 10 1 12 2 22 1 0 0 0 0 0 0 1.721100 1.706400 6.480800 1XA 0 -0.15000 -0.15000 FASJ C4 11
2 11 2 13 1 23 1 0 0 0 0 0 0 1.586500 3.090600 6.595800 1XA 0 -0.15000 -0.15000 FASJ C5 12
2 4 1 12 1 14 2 0 0 0 0 0 0 0.793900 3.651500 7.600900 1XA 0 0.08250 0.08250 FASJ C6 13
2 9 1 13 2 24 1 0 0 0 0 0 0 0.121300 2.811800 8.488600 1XA 0 -0.15000 -0.15000 FASJ C7 14
3 6 1 16 1 25 1 26 1 0 0 0 0 -4.221800 -1.583500 10.924500 1XA 0 -0.04200 -0.04200 FASJ C8 15
3 6 1 15 1 27 1 28 1 0 0 0 0 -3.624500 -0.206000 11.005200 1XA 0 -0.04200 -0.04200 FASJ C9 16
3 7 1 18 1 29 1 30 1 0 0 0 0 -0.953300 -4.053500 8.719200 1XA 0 -0.04200 -0.04200 FASJ C10 17
3 7 1 17 1 31 1 32 1 0 0 0 0 -2.344300 -4.306900 9.234600 1XA 0 -0.04200 -0.04200 FASJ C11 18
3 4 1 33 1 34 1 35 1 0 0 0 0 0.021300 5.640300 8.649900 1XA 0 0.28000 0.28000 FASJ C12 19
43 5 1 0 0 0 0 0 0 0 0 0 0 -0.821200 -0.895800 7.911700 1XA 0 0.37000 0.37000 FASJ H1 20
41 10 1 0 0 0 0 0 0 0 0 0 0 1.195900 -0.206100 7.285800 1XA 0 0.15000 0.15000 FASJ H2 21
41 11 1 0 0 0 0 0 0 0 0 0 0 2.357300 1.287900 5.704900 1XA 0 0.15000 0.15000 FASJ H3 22
41 12 1 0 0 0 0 0 0 0 0 0 0 2.113700 3.742600 5.902500 1XA 0 0.15000 0.15000 FASJ H4 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -0.503400 3.210600 9.282400 1XA 0 0.15000 0.15000 FASJ H5 24
41 15 1 0 0 0 0 0 0 0 0 0 0 -5.261900 -1.674500 10.641400 1XA 0 0.10000 0.10000 FASJ H6 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -3.848000 -2.340600 11.602800 1XA 0 0.10000 0.10000 FASJ H7 26
41 16 1 0 0 0 0 0 0 0 0 0 0 -2.841300 -0.026400 11.733000 1XA 0 0.10000 0.10000 FASJ H8 27
41 16 1 0 0 0 0 0 0 0 0 0 0 -4.249100 0.645700 10.772200 1XA 0 0.10000 0.10000 FASJ H9 28
41 17 1 0 0 0 0 0 0 0 0 0 0 -0.146500 -3.977700 9.438900 1XA 0 0.10000 0.10000 FASJ H10 29
41 17 1 0 0 0 0 0 0 0 0 0 0 -0.685600 -4.462300 7.753800 1XA 0 0.10000 0.10000 FASJ H11 30
41 18 1 0 0 0 0 0 0 0 0 0 0 -2.484100 -4.401900 10.304700 1XA 0 0.10000 0.10000 FASJ H12 31
41 18 1 0 0 0 0 0 0 0 0 0 0 -3.025600 -4.878700 8.618400 1XA 0 0.10000 0.10000 FASJ H13 32
41 19 1 0 0 0 0 0 0 0 0 0 0 0.118400 6.723500 8.528800 1XA 0 0.00000 0.00000 FASJ H14 33
41 19 1 0 0 0 0 0 0 0 0 0 0 -1.042900 5.391800 8.581400 1XA 0 0.00000 0.00000 FASJ H15 34
41 19 1 0 0 0 0 0 0 0 0 0 0 0.427700 5.377300 9.632200 1XA 0 0.00000 0.00000 FASJ H16 35
15 [FAXFUF10,15,15,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 9 2 0 0 0 0 0 0 0 0 0 0 6.753200 1.644000 2.966500 1XA 0 -0.57000 -0.57000 FAXF O6 1
25 11 1 9 1 6 1 0 0 0 0 0 0 6.466300 1.644000 5.236200 1XA 0 -0.68540 -0.68540 FAXF N1 2
31 13 1 7 1 6 2 0 0 0 0 0 0 8.214200 1.644000 6.765500 1XA 0 -0.59940 -0.59940 FAXF N3 3
25 15 1 10 1 5 1 0 0 0 0 0 0 10.848900 1.644000 4.541600 1XA 0 0.29960 0.29960 FAXF N8 4
25 4 1 7 2 0 0 0 0 0 0 0 0 10.428700 1.644000 5.828400 1XA 0 -0.70680 -0.70680 FAXF N9 5
2 2 1 3 2 12 1 0 0 0 0 0 0 6.928700 1.644000 6.475800 1XA 0 0.55880 0.55880 FAXF C2 6
2 3 1 5 2 8 1 0 0 0 0 0 0 9.110000 1.644000 5.718000 1XA 0 0.58380 0.58380 FAXF C4 7
2 7 1 10 2 9 1 0 0 0 0 0 0 8.664300 1.644000 4.398300 1XA 0 -0.08600 -0.08600 FAXF C5 8
2 1 2 2 1 8 1 0 0 0 0 0 0 7.279400 1.644000 4.061700 1XA 0 1.03700 1.03700 FAXF C6 9
2 4 1 8 2 14 1 0 0 0 0 0 0 9.812900 1.644000 3.640400 1XA 0 -0.30160 -0.30160 FAXF C7 10
43 2 1 0 0 0 0 0 0 0 0 0 0 5.464800 1.644000 5.078400 1XA 0 0.45000 0.45000 FAXF H1 11
41 6 1 0 0 0 0 0 0 0 0 0 0 6.218200 1.644000 7.293100 1XA 0 0.15000 0.15000 FAXF H2 12
44 3 1 0 0 0 0 0 0 0 0 0 0 8.593100 1.644000 7.706000 1XA 0 0.45000 0.45000 FAXF H3 13
41 10 1 0 0 0 0 0 0 0 0 0 0 9.992700 1.644000 2.572200 1XA 0 0.15000 0.15000 FAXF H7 14
43 4 1 0 0 0 0 0 0 0 0 0 0 11.850500 1.644000 4.352700 1XA 0 0.27000 0.27000 FAXF H8 15
22 [FAXVAB,22,22,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 6 1 5 1 3 2 2 2 0 0 0 0 2.977000 6.591000 -2.477700 1XA 0 1.57600 1.57600 FAXV S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 4.080700 6.192900 -3.317500 1XA 0 -0.65000 -0.65000 FAXV O1 2
15 1 2 0 0 0 0 0 0 0 0 0 0 2.899700 7.920000 -1.919500 1XA 0 -0.65000 -0.65000 FAXV O2 3
15 13 2 0 0 0 0 0 0 0 0 0 0 1.388200 4.837100 0.492000 1XA 0 -0.57000 -0.57000 FAXV O3 4
25 1 1 15 1 7 1 0 0 0 0 0 0 1.583000 6.318400 -3.361500 1XA 0 -0.75700 -0.75700 FAXV N1 5
25 1 1 14 1 13 1 0 0 0 0 0 0 2.756600 5.483900 -1.250800 1XA 0 -0.73000 -0.73000 FAXV N2 6
2 5 1 12 1 8 2 0 0 0 0 0 0 0.374200 6.382300 -2.610800 1XA 0 0.19900 0.19900 FAXV C1 7
2 7 2 16 1 9 1 0 0 0 0 0 0 -0.791600 6.789800 -3.266700 1XA 0 -0.15000 -0.15000 FAXV C2 8
2 8 1 17 1 10 2 0 0 0 0 0 0 -2.015800 6.780000 -2.595200 1XA 0 -0.15000 -0.15000 FAXV C3 9
2 9 2 18 1 11 1 0 0 0 0 0 0 -2.085600 6.333100 -1.277600 1XA 0 -0.15000 -0.15000 FAXV C4 10
2 10 1 19 1 12 2 0 0 0 0 0 0 -0.932100 5.882800 -0.634400 1XA 0 -0.15000 -0.15000 FAXV C5 11
2 7 1 11 2 13 1 0 0 0 0 0 0 0.301100 5.892100 -1.304500 1XA 0 0.08620 0.08620 FAXV C6 12
2 4 2 6 1 12 1 0 0 0 0 0 0 1.500400 5.371300 -0.605300 1XA 0 0.72010 0.72010 FAXV C7 13
3 6 1 22 1 21 1 20 1 0 0 0 0 3.987900 5.126700 -0.521700 1XA 0 0.35570 0.35570 FAXV C8 14
43 5 1 0 0 0 0 0 0 0 0 0 0 1.603500 6.871800 -4.217400 1XA 0 0.42000 0.42000 FAXV H1 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.761500 7.121700 -4.301400 1XA 0 0.15000 0.15000 FAXV H2 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -2.917900 7.113200 -3.103900 1XA 0 0.15000 0.15000 FAXV H3 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -3.039500 6.321800 -0.754500 1XA 0 0.15000 0.15000 FAXV H4 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -1.000000 5.515800 0.388600 1XA 0 0.15000 0.15000 FAXV H5 19
41 14 1 0 0 0 0 0 0 0 0 0 0 4.216200 5.888800 0.229300 1XA 0 0.00000 0.00000 FAXV H6 20
41 14 1 0 0 0 0 0 0 0 0 0 0 3.858200 4.163300 -0.017800 1XA 0 0.00000 0.00000 FAXV H7 21
41 14 1 0 0 0 0 0 0 0 0 0 0 4.842500 5.013700 -1.194300 1XA 0 0.00000 0.00000 FAXV H8 22
24 [FAXVEF,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
31 7 1 6 2 2 1 0 0 0 0 0 0 4.839100 5.311100 8.120000 1XA 0 -0.21000 -0.21000 FAXV N1 1
2 1 1 11 1 3 2 0 0 0 0 0 0 4.701200 4.607300 9.269300 1XA 0 0.21100 0.21100 FAXV C2 2
2 2 2 12 1 4 1 0 0 0 0 0 0 3.472400 4.536900 9.914600 1XA 0 -0.15000 -0.15000 FAXV C3 3
2 3 1 13 1 5 2 0 0 0 0 0 0 2.380300 5.202700 9.374400 1XA 0 -0.15000 -0.15000 FAXV C4 4
2 4 2 14 1 6 1 0 0 0 0 0 0 2.537300 5.928400 8.201200 1XA 0 -0.15000 -0.15000 FAXV C5 5
2 1 2 5 1 15 1 0 0 0 0 0 0 3.784000 5.972700 7.587900 1XA 0 0.21100 0.21100 FAXV C6 6
3 1 1 17 1 16 1 8 1 0 0 0 0 6.166100 5.384700 7.461000 1XA 0 0.48800 0.48800 FAXV C7 7
3 7 1 19 1 18 1 9 1 0 0 0 0 6.466300 4.099800 6.694200 1XA 0 0.00000 0.00000 FAXV C8 8
3 8 1 21 1 20 1 10 1 0 0 0 0 5.552400 3.894700 5.485100 1XA 0 0.00000 0.00000 FAXV C9 9
3 9 1 24 1 23 1 22 1 0 0 0 0 5.952200 2.660900 4.690400 1XA 0 0.00000 0.00000 FAXV C10 10
41 2 1 0 0 0 0 0 0 0 0 0 0 5.580900 4.104100 9.660700 1XA 0 0.15000 0.15000 FAXV H2 11
41 3 1 0 0 0 0 0 0 0 0 0 0 3.366400 3.967000 10.835300 1XA 0 0.15000 0.15000 FAXV H3 12
41 4 1 0 0 0 0 0 0 0 0 0 0 1.410000 5.158000 9.867700 1XA 0 0.15000 0.15000 FAXV H4 13
41 5 1 0 0 0 0 0 0 0 0 0 0 1.691600 6.457600 7.766800 1XA 0 0.15000 0.15000 FAXV H5 14
41 6 1 0 0 0 0 0 0 0 0 0 0 3.945700 6.528800 6.668800 1XA 0 0.15000 0.15000 FAXV H6 15
41 7 1 0 0 0 0 0 0 0 0 0 0 6.905400 5.547500 8.254000 1XA 0 0.00000 0.00000 FAXV H71 16
41 7 1 0 0 0 0 0 0 0 0 0 0 6.185200 6.261800 6.805200 1XA 0 0.00000 0.00000 FAXV H72 17
41 8 1 0 0 0 0 0 0 0 0 0 0 6.388900 3.233200 7.361300 1XA 0 0.00000 0.00000 FAXV H81 18
41 8 1 0 0 0 0 0 0 0 0 0 0 7.507300 4.143300 6.350900 1XA 0 0.00000 0.00000 FAXV H82 19
41 9 1 0 0 0 0 0 0 0 0 0 0 5.595900 4.772900 4.830700 1XA 0 0.00000 0.00000 FAXV H91 20
41 9 1 0 0 0 0 0 0 0 0 0 0 4.513000 3.779900 5.810500 1XA 0 0.00000 0.00000 FAXV H92 21
41 10 1 0 0 0 0 0 0 0 0 0 0 5.285000 2.530000 3.832800 1XA 0 0.00000 0.00000 FAXV H101 22
41 10 1 0 0 0 0 0 0 0 0 0 0 6.975900 2.751400 4.313300 1XA 0 0.00000 0.00000 FAXV H102 23
41 10 1 0 0 0 0 0 0 0 0 0 0 5.891700 1.759700 5.308900 1XA 0 0.00000 0.00000 FAXV H103 24
26 [FAXVIJ,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 21 1 20 1 2 2 0 0 0 0 0 0 2.803200 3.293200 4.307100 1XA 0 -0.18100 -0.18100 FAXV C1 1
2 1 2 22 1 3 1 0 0 0 0 0 0 2.309300 2.154500 3.791600 1XA 0 -0.15000 -0.15000 FAXV C2 2
2 2 1 23 1 4 2 0 0 0 0 0 0 1.188000 1.508200 4.448200 1XA 0 -0.15000 -0.15000 FAXV C3 3
2 3 2 24 1 5 1 0 0 0 0 0 0 0.628000 2.033700 5.553100 1XA 0 -0.10500 -0.10500 FAXV C4 4
2 4 1 20 1 6 2 0 0 0 0 0 0 1.137700 3.245800 6.099600 1XA 0 0.14150 0.14150 FAXV C41 5
25 5 2 7 1 0 0 0 0 0 0 0 0 0.732900 3.946800 7.134000 1XA 0 -0.56530 -0.56530 FAXV N5 6
2 6 1 19 2 8 1 0 0 0 0 0 0 1.577100 5.018500 7.197100 1XA 0 0.22720 0.22720 FAXV C51 7
2 7 1 25 1 9 2 0 0 0 0 0 0 1.558900 6.079000 8.119800 1XA 0 -0.15000 -0.15000 FAXV C6 8
2 8 2 14 1 10 1 0 0 0 0 0 0 2.517100 7.103200 8.035000 1XA 0 -0.14350 -0.14350 FAXV C7 9
3 9 1 13 1 12 1 11 1 0 0 0 0 2.479500 8.258500 9.006700 1XA 0 1.16350 1.16350 FAXV C71 10
56 10 1 0 0 0 0 0 0 0 0 0 0 1.977000 7.918700 10.224400 1XA 0 -0.34000 -0.34000 FAXV F1 11
56 10 1 0 0 0 0 0 0 0 0 0 0 3.712700 8.784300 9.245000 1XA 0 -0.34000 -0.34000 FAXV F2 12
56 10 1 0 0 0 0 0 0 0 0 0 0 1.713700 9.286100 8.552400 1XA 0 -0.34000 -0.34000 FAXV F3 13
2 9 1 26 1 15 2 0 0 0 0 0 0 3.482700 7.052800 7.020300 1XA 0 -0.15000 -0.15000 FAXV C8 14
2 14 2 19 1 16 1 0 0 0 0 0 0 3.515700 5.988900 6.096500 1XA 0 0.13300 0.13300 FAXV C9 15
31 15 1 18 2 17 1 0 0 0 0 0 0 4.584000 6.008100 5.117600 1XA 0 0.90700 0.90700 FAXV N9 16
18 16 1 0 0 0 0 0 0 0 0 0 0 4.637300 6.985800 4.362000 1XA 0 -0.52000 -0.52000 FAXV O91 17
15 16 2 0 0 0 0 0 0 0 0 0 0 5.365400 5.049600 5.120400 1XA 0 -0.52000 -0.52000 FAXV O92 18
2 7 2 15 1 20 1 0 0 0 0 0 0 2.542500 4.978600 6.189000 1XA 0 -0.15160 -0.15160 FAXV C91 19
25 1 1 5 1 19 1 0 0 0 0 0 0 2.233300 3.836900 5.463500 1XA 0 0.33420 0.33420 FAXV N10 20
41 1 1 0 0 0 0 0 0 0 0 0 0 3.634200 3.802800 3.841200 1XA 0 0.15000 0.15000 FAXV H1 21
41 2 1 0 0 0 0 0 0 0 0 0 0 2.725400 1.703400 2.896400 1XA 0 0.15000 0.15000 FAXV H2 22
41 3 1 0 0 0 0 0 0 0 0 0 0 0.809400 0.584800 4.019700 1XA 0 0.15000 0.15000 FAXV H3 23
41 4 1 0 0 0 0 0 0 0 0 0 0 -0.212400 1.557100 6.045400 1XA 0 0.15000 0.15000 FAXV H4 24
41 8 1 0 0 0 0 0 0 0 0 0 0 0.792700 6.089800 8.892400 1XA 0 0.15000 0.15000 FAXV H6 25
41 14 1 0 0 0 0 0 0 0 0 0 0 4.226600 7.849600 6.951500 1XA 0 0.15000 0.15000 FAXV H8 26
12 [FAZBAJ,12,12,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 3 1 9 1 0 0 0 0 0 0 0 0 0.817900 10.779700 1.476900 1XA 0 -0.33100 -0.33100 FAZB S1 1
18 3 1 0 0 0 0 0 0 0 0 0 0 0.569200 8.646400 3.085800 1XA 0 -0.85000 -0.85000 FAZB O1 2
2 1 1 2 1 4 2 0 0 0 0 0 0 0.374800 9.895700 3.004100 1XA 0 -0.04900 -0.04900 FAZB C1 3
2 3 2 5 1 6 1 0 0 0 0 0 0 -0.156100 10.694000 3.981000 1XA 0 0.13000 0.13000 FAZB C2 4
1 4 1 7 3 0 0 0 0 0 0 0 0 -0.362500 12.103400 3.856400 1XA 0 0.49210 0.49210 FAZB C3 5
1 4 1 8 3 0 0 0 0 0 0 0 0 -0.553800 10.139700 5.242100 1XA 0 0.49210 0.49210 FAZB C4 6
24 5 3 0 0 0 0 0 0 0 0 0 0 -0.554100 13.251200 3.814100 1XA 0 -0.55710 -0.55710 FAZB N3 7
24 6 3 0 0 0 0 0 0 0 0 0 0 -0.907400 9.792500 6.296300 1XA 0 -0.55710 -0.55710 FAZB N4 8
3 1 1 10 1 11 1 12 1 0 0 0 0 1.468500 9.444800 0.443300 1XA 0 0.23000 0.23000 FAZB C5 9
41 9 1 0 0 0 0 0 0 0 0 0 0 2.348600 8.984100 0.900900 1XA 0 0.00000 0.00000 FAZB H1 10
41 9 1 0 0 0 0 0 0 0 0 0 0 0.704800 8.685900 0.251400 1XA 0 0.00000 0.00000 FAZB H2 11
41 9 1 0 0 0 0 0 0 0 0 0 0 1.772700 9.865500 -0.519500 1XA 0 0.00000 0.00000 FAZB H3 12
12 [FAZKUM,12,12,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 6 1 0 0 0 0 0 0 0 0 0 0 5.368100 0.272100 3.254800 1XA 0 -0.14000 -0.14000 UNCH CL1 1
57 5 1 0 0 0 0 0 0 0 0 0 0 5.260200 0.067800 -1.221300 1XA 0 -0.37010 -0.37010 UNCH CL2 2
57 5 1 0 0 0 0 0 0 0 0 0 0 6.793800 2.834200 -0.135100 1XA 0 -0.37010 -0.37010 UNCH CL3 3
57 5 1 0 0 0 0 0 0 0 0 0 0 3.761100 2.084100 0.908600 1XA 0 -0.37010 -0.37010 UNCH CL4 4
60 2 1 3 1 4 1 6 1 0 0 0 0 5.555400 1.304500 0.360800 1XA 0 1.33930 1.33930 UNCH SI1 5
2 1 1 5 1 7 2 0 0 0 0 0 0 6.337000 0.324600 1.752900 1XA 0 -0.08900 -0.08900 UNCH C1 6
2 6 2 8 1 9 1 0 0 0 0 0 0 7.538000 -0.324600 1.710800 1XA 0 -0.08900 -0.08900 UNCH C1B 7
57 7 1 0 0 0 0 0 0 0 0 0 0 8.506900 -0.272100 0.208900 1XA 0 -0.14000 -0.14000 UNCH CL1B 8
60 7 1 10 1 11 1 12 1 0 0 0 0 8.319600 -1.304500 3.102900 1XA 0 1.33930 1.33930 UNCH SI1B 9
57 9 1 0 0 0 0 0 0 0 0 0 0 8.614800 -0.067800 4.685000 1XA 0 -0.37010 -0.37010 UNCH CL2B 10
57 9 1 0 0 0 0 0 0 0 0 0 0 7.081200 -2.834200 3.598800 1XA 0 -0.37010 -0.37010 UNCH CL3B 11
57 9 1 0 0 0 0 0 0 0 0 0 0 10.113900 -2.084100 2.555100 1XA 0 -0.37010 -0.37010 UNCH CL4B 12
32 [FBATNB,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 23 1 7 2 3 1 0 0 0 0 0 0 3.221500 1.352700 1.648800 1XA 0 0.10000 0.10000 FBAT C1 1
3 22 1 14 1 13 1 8 1 0 0 0 0 4.920800 1.754100 -1.009300 1XA 0 0.00000 0.00000 FBAT C2 2
2 1 1 24 1 4 2 0 0 0 0 0 0 4.192200 0.525200 2.257100 1XA 0 0.13300 0.13300 FBAT C3 3
2 3 2 12 1 5 1 0 0 0 0 0 0 3.879700 -0.646200 2.982500 1XA 0 -0.15000 -0.15000 FBAT C4 4
2 4 1 25 1 6 2 0 0 0 0 0 0 2.545200 -1.013100 3.148300 1XA 0 0.13300 0.13300 FBAT C5 5
2 5 2 15 1 7 1 0 0 0 0 0 0 1.534000 -0.212300 2.623600 1XA 0 -0.15000 -0.15000 FBAT C6 6
2 1 2 6 1 26 1 0 0 0 0 0 0 1.886600 0.950600 1.908400 1XA 0 0.13300 0.13300 FBAT C7 7
3 2 1 23 1 10 1 9 1 0 0 0 0 3.661900 2.513400 -0.578400 1XA 0 0.36910 0.36910 FBAT C8 8
3 8 1 18 1 17 1 16 1 0 0 0 0 2.451000 1.923600 -1.316300 1XA 0 0.00000 0.00000 FBAT C9 9
3 8 1 21 1 20 1 19 1 0 0 0 0 3.800400 3.987700 -1.012700 1XA 0 0.00000 0.00000 FBAT C10 10
56 23 1 0 0 0 0 0 0 0 0 0 0 4.652000 3.095300 1.454500 1XA 0 -0.05300 -0.05300 FBAT F1 11
41 4 1 0 0 0 0 0 0 0 0 0 0 4.682600 -1.245100 3.415200 1XA 0 0.15000 0.15000 FBAT H1 12
41 2 1 0 0 0 0 0 0 0 0 0 0 5.815900 2.143000 -0.513200 1XA 0 0.00000 0.00000 FBAT H2 13
41 2 1 0 0 0 0 0 0 0 0 0 0 5.084900 1.845600 -2.089500 1XA 0 0.00000 0.00000 FBAT H3 14
41 6 1 0 0 0 0 0 0 0 0 0 0 0.483200 -0.462400 2.774400 1XA 0 0.15000 0.15000 FBAT H4 15
41 9 1 0 0 0 0 0 0 0 0 0 0 1.538900 2.489800 -1.102600 1XA 0 0.00000 0.00000 FBAT H5 16
41 9 1 0 0 0 0 0 0 0 0 0 0 2.599600 1.954200 -2.402300 1XA 0 0.00000 0.00000 FBAT H6 17
41 9 1 0 0 0 0 0 0 0 0 0 0 2.278900 0.876700 -1.045200 1XA 0 0.00000 0.00000 FBAT H7 18
41 10 1 0 0 0 0 0 0 0 0 0 0 4.680600 4.458200 -0.559800 1XA 0 0.00000 0.00000 FBAT H8 19
41 10 1 0 0 0 0 0 0 0 0 0 0 2.924900 4.572400 -0.706600 1XA 0 0.00000 0.00000 FBAT H9 20
41 10 1 0 0 0 0 0 0 0 0 0 0 3.900900 4.076100 -2.100400 1XA 0 0.00000 0.00000 FBAT H10 21
41 2 1 0 0 0 0 0 0 0 0 0 0 4.836600 0.685200 -0.789500 1XA 0 0.00000 0.00000 FBAT H11 22
25 1 1 8 1 11 1 0 0 0 0 0 0 3.463300 2.510200 0.898100 1XA 0 -0.41610 -0.41610 FBAT N1 23
31 3 1 28 2 27 1 0 0 0 0 0 0 5.608900 0.828500 2.212500 1XA 0 0.90700 0.90700 FBAT N2 24
31 5 1 30 2 29 1 0 0 0 0 0 0 2.205300 -2.227700 3.900600 1XA 0 0.90700 0.90700 FBAT N3 25
31 7 1 32 2 31 1 0 0 0 0 0 0 0.771000 1.788300 1.492900 1XA 0 0.90700 0.90700 FBAT N4 26
18 24 1 0 0 0 0 0 0 0 0 0 0 6.272500 0.250000 1.343900 1XA 0 -0.52000 -0.52000 FBAT O1 27
15 24 2 0 0 0 0 0 0 0 0 0 0 6.053600 1.555600 3.108200 1XA 0 -0.52000 -0.52000 FBAT O2 28
18 25 1 0 0 0 0 0 0 0 0 0 0 3.141600 -2.923000 4.313700 1XA 0 -0.52000 -0.52000 FBAT O3 29
15 25 2 0 0 0 0 0 0 0 0 0 0 1.005400 -2.477100 4.069100 1XA 0 -0.52000 -0.52000 FBAT O4 30
18 26 1 0 0 0 0 0 0 0 0 0 0 -0.065500 1.261000 0.747700 1XA 0 -0.52000 -0.52000 FBAT O5 31
15 26 2 0 0 0 0 0 0 0 0 0 0 0.714100 2.935000 1.950200 1XA 0 -0.52000 -0.52000 FBAT O6 32
24 [FECXEQ,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 1 11 2 13 1 0 0 0 0 0 0 4.828900 2.979100 4.246600 1XA 0 0.39000 0.39000 UNCH C1 1
2 1 1 3 1 12 2 0 0 0 0 0 0 3.349700 2.878900 4.413700 1XA 0 0.55560 0.55560 UNCH C2 2
2 2 1 4 1 6 2 0 0 0 0 0 0 2.789500 1.511900 4.652000 1XA 0 0.01440 0.01440 UNCH C3 3
2 3 1 5 2 14 1 0 0 0 0 0 0 3.352900 0.758800 5.758900 1XA 0 -0.15000 -0.15000 UNCH C4 4
2 4 2 10 1 15 1 0 0 0 0 0 0 4.436000 1.099100 6.470700 1XA 0 -0.05000 -0.05000 UNCH C5 5
2 3 2 7 1 8 1 0 0 0 0 0 0 1.752700 1.094100 3.880000 1XA 0 -0.27640 -0.27640 UNCH C6 6
3 6 1 16 1 17 1 18 1 0 0 0 0 1.195800 1.891800 2.717100 1XA 0 0.13820 0.13820 UNCH C7 7
3 6 1 19 1 20 1 21 1 0 0 0 0 1.018000 -0.217600 4.043200 1XA 0 0.13820 0.13820 UNCH C8 8
3 10 1 22 1 23 1 24 1 0 0 0 0 6.401600 2.303300 7.340700 1XA 0 0.36910 0.36910 UNCH C9 9
25 5 1 9 1 11 1 0 0 0 0 0 0 5.341300 2.141800 6.332600 1XA 0 -0.42710 -0.42710 UNCH N1 10
25 1 2 10 1 0 0 0 0 0 0 0 0 5.727300 2.646500 5.118300 1XA 0 -0.49200 -0.49200 UNCH N2 11
15 2 2 0 0 0 0 0 0 0 0 0 0 2.680400 3.895700 4.280800 1XA 0 -0.57000 -0.57000 UNCH O1 12
41 1 1 0 0 0 0 0 0 0 0 0 0 5.141200 3.392300 3.275500 1XA 0 0.06000 0.06000 UNCH H1 13
41 4 1 0 0 0 0 0 0 0 0 0 0 2.827700 -0.130300 6.089400 1XA 0 0.15000 0.15000 UNCH H4 14
41 5 1 0 0 0 0 0 0 0 0 0 0 4.678200 0.476600 7.331600 1XA 0 0.15000 0.15000 UNCH H5 15
41 7 1 0 0 0 0 0 0 0 0 0 0 1.899400 2.623900 2.312800 1XA 0 0.00000 0.00000 UNCH H71 16
41 7 1 0 0 0 0 0 0 0 0 0 0 0.279800 2.408500 3.020400 1XA 0 0.00000 0.00000 UNCH H72 17
41 7 1 0 0 0 0 0 0 0 0 0 0 0.951000 1.226000 1.881500 1XA 0 0.00000 0.00000 UNCH H73 18
41 8 1 0 0 0 0 0 0 0 0 0 0 1.361100 -0.832800 4.875500 1XA 0 0.00000 0.00000 UNCH H81 19
41 8 1 0 0 0 0 0 0 0 0 0 0 1.125300 -0.821900 3.135700 1XA 0 0.00000 0.00000 UNCH H82 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.048800 -0.027100 4.204300 1XA 0 0.00000 0.00000 UNCH H83 21
41 9 1 0 0 0 0 0 0 0 0 0 0 5.992600 2.209400 8.352700 1XA 0 0.00000 0.00000 UNCH H91 22
41 9 1 0 0 0 0 0 0 0 0 0 0 6.860100 3.295500 7.263000 1XA 0 0.00000 0.00000 UNCH H92 23
41 9 1 0 0 0 0 0 0 0 0 0 0 7.180000 1.545400 7.201500 1XA 0 0.00000 0.00000 UNCH H93 24
18 [FEGSEP,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 2 1 3 1 4 1 7 1 0 0 0 0 -0.677800 1.157200 7.780300 1XA 0 1.24240 1.24240 UNCH P1 1
16 1 1 11 1 0 0 0 0 0 0 0 0 0.856500 1.019600 7.334400 1XA 0 -0.77120 -0.77120 UNCH O1 2
16 1 1 12 1 0 0 0 0 0 0 0 0 -1.388500 0.464100 6.519000 1XA 0 -0.77120 -0.77120 UNCH O2 3
18 1 1 0 0 0 0 0 0 0 0 0 0 -1.123300 2.566000 7.978800 1XA 0 -0.70000 -0.70000 UNCH O3 4
15 10 2 0 0 0 0 0 0 0 0 0 0 -4.077300 0.698500 10.456200 1XA 0 -0.57000 -0.57000 UNCH O4 5
25 7 1 10 1 14 1 0 0 0 0 0 0 -2.315800 -0.276200 9.336400 1XA 0 -0.73010 -0.73010 UNCH N1 6
3 1 1 6 1 8 1 13 1 0 0 0 0 -0.913000 0.012700 9.153000 1XA 0 0.30010 0.30010 UNCH C1 7
3 7 1 9 1 15 1 16 1 0 0 0 0 -0.514000 0.576700 10.505900 1XA 0 0.00000 0.00000 UNCH C2 8
3 8 1 10 1 17 1 18 1 0 0 0 0 -1.773200 1.297100 10.987500 1XA 0 0.06100 0.06100 UNCH C3 9
2 5 2 6 1 9 1 0 0 0 0 0 0 -2.881300 0.565300 10.273000 1XA 0 0.56900 0.56900 UNCH C4 10
42 2 1 0 0 0 0 0 0 0 0 0 0 1.260600 0.139200 7.441000 1XA 0 0.50000 0.50000 UNCH H1 11
42 3 1 0 0 0 0 0 0 0 0 0 0 -1.437000 1.089700 5.768500 1XA 0 0.50000 0.50000 UNCH H2 12
41 7 1 0 0 0 0 0 0 0 0 0 0 -0.396500 -0.926800 8.935000 1XA 0 0.00000 0.00000 UNCH H3 13
43 6 1 0 0 0 0 0 0 0 0 0 0 -2.916100 -0.652600 8.609500 1XA 0 0.37000 0.37000 UNCH H4 14
41 8 1 0 0 0 0 0 0 0 0 0 0 0.354500 1.239500 10.459500 1XA 0 0.00000 0.00000 UNCH H5 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.283400 -0.242300 11.198700 1XA 0 0.00000 0.00000 UNCH H6 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.780800 2.346200 10.678900 1XA 0 0.00000 0.00000 UNCH H7 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.890800 1.221800 12.071200 1XA 0 0.00000 0.00000 UNCH H8 18
14 [FEHDAX,14,14,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 1 3 1 4 2 0 0 0 0 0 0 0.676000 2.676200 0.891300 1XA 0 -0.08000 -0.08000 UNCH C1 1
3 1 1 3 1 5 1 8 1 0 0 0 0 0.191900 3.485800 1.942800 1XA 0 -0.06000 -0.06000 UNCH C2 2
3 1 1 2 1 9 1 10 1 0 0 0 0 1.697200 3.028000 1.791900 1XA 0 -0.16000 -0.16000 UNCH C3 3
2 1 2 11 1 12 1 0 0 0 0 0 0 0.392600 2.027900 -0.217300 1XA 0 -0.30000 -0.30000 UNCH C4 4
2 2 1 6 2 7 1 0 0 0 0 0 0 -0.623500 2.863400 3.003700 1XA 0 0.63000 0.63000 UNCH C5 5
15 5 2 0 0 0 0 0 0 0 0 0 0 -0.244800 2.823100 4.165600 1XA 0 -0.57000 -0.57000 UNCH O1 6
25 5 1 13 1 14 1 0 0 0 0 0 0 -1.830600 2.369900 2.610000 1XA 0 -0.80000 -0.80000 UNCH N1 7
41 2 1 0 0 0 0 0 0 0 0 0 0 -0.024400 4.523400 1.724000 1XA 0 0.10000 0.10000 UNCH H1 8
41 3 1 0 0 0 0 0 0 0 0 0 0 2.063800 2.259500 2.459500 1XA 0 0.10000 0.10000 UNCH H2 9
41 3 1 0 0 0 0 0 0 0 0 0 0 2.417600 3.766100 1.468900 1XA 0 0.10000 0.10000 UNCH H3 10
41 4 1 0 0 0 0 0 0 0 0 0 0 -0.611700 2.013400 -0.624100 1XA 0 0.15000 0.15000 UNCH H4 11
41 4 1 0 0 0 0 0 0 0 0 0 0 1.165800 1.492100 -0.758100 1XA 0 0.15000 0.15000 UNCH H5 12
43 7 1 0 0 0 0 0 0 0 0 0 0 -2.078000 2.289500 1.634900 1XA 0 0.37000 0.37000 UNCH H6 13
43 7 1 0 0 0 0 0 0 0 0 0 0 -2.371300 1.863100 3.297200 1XA 0 0.37000 0.37000 UNCH H7 14
25 [FEJJEJ,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 2 2 0 0 0 0 0 0 0 0 0 0 0.964700 5.881000 0.417100 1XA 0 -0.57000 -0.57000 UNCH O1 1
2 1 2 3 1 5 1 0 0 0 0 0 0 0.775900 5.448100 -0.697900 1XA 0 0.70100 0.70100 UNCH C1 2
2 2 1 4 1 6 2 0 0 0 0 0 0 1.130500 4.236000 -1.433600 1XA 0 -0.17500 -0.17500 UNCH C2 3
3 3 1 5 1 8 1 16 1 0 0 0 0 0.065300 4.640500 -2.444600 1XA 0 0.36300 0.36300 UNCH C3 4
25 2 1 4 1 15 1 0 0 0 0 0 0 0.045300 5.922400 -1.736700 1XA 0 -0.65500 -0.65500 UNCH N1 5
1 3 2 7 2 0 0 0 0 0 0 0 0 1.872100 3.208700 -1.218300 1XA 0 -0.09900 -0.09900 UNCH C4 6
2 6 2 17 1 18 1 0 0 0 0 0 0 2.622000 2.173500 -0.995100 1XA 0 -0.23500 -0.23500 UNCH C5 7
3 4 1 9 1 19 1 20 1 0 0 0 0 -1.259100 3.876600 -2.366800 1XA 0 0.14350 0.14350 UNCH C6 8
2 8 1 10 2 14 1 0 0 0 0 0 0 -2.336400 4.592200 -3.147800 1XA 0 -0.14350 -0.14350 UNCH C7 9
2 9 2 11 1 21 1 0 0 0 0 0 0 -2.356600 4.538200 -4.548400 1XA 0 -0.15000 -0.15000 UNCH C8 10
2 10 1 12 2 22 1 0 0 0 0 0 0 -3.342400 5.215200 -5.267800 1XA 0 -0.15000 -0.15000 UNCH C9 11
2 11 2 13 1 23 1 0 0 0 0 0 0 -4.316700 5.950700 -4.595800 1XA 0 -0.15000 -0.15000 UNCH C10 12
2 12 1 14 2 24 1 0 0 0 0 0 0 -4.307900 6.008500 -3.203700 1XA 0 -0.15000 -0.15000 UNCH C11 13
2 9 1 13 2 25 1 0 0 0 0 0 0 -3.323100 5.332700 -2.481700 1XA 0 -0.15000 -0.15000 UNCH C12 14
43 5 1 0 0 0 0 0 0 0 0 0 0 -0.750200 6.501200 -1.511000 1XA 0 0.37000 0.37000 UNCH H1 15
41 4 1 0 0 0 0 0 0 0 0 0 0 0.433200 4.759000 -3.471800 1XA 0 0.00000 0.00000 UNCH H2 16
41 7 1 0 0 0 0 0 0 0 0 0 0 2.919600 1.517100 -1.804500 1XA 0 0.15000 0.15000 UNCH H3 17
41 7 1 0 0 0 0 0 0 0 0 0 0 2.982700 1.961000 0.005300 1XA 0 0.15000 0.15000 UNCH H4 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -1.583500 3.740600 -1.326600 1XA 0 0.00000 0.00000 UNCH H5 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -1.134500 2.866900 -2.778500 1XA 0 0.00000 0.00000 UNCH H6 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -1.605700 3.967300 -5.090200 1XA 0 0.15000 0.15000 UNCH H7 21
41 11 1 0 0 0 0 0 0 0 0 0 0 -3.351400 5.168100 -6.353800 1XA 0 0.15000 0.15000 UNCH H8 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -5.084700 6.476400 -5.157200 1XA 0 0.15000 0.15000 UNCH H9 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.071100 6.578500 -2.679800 1XA 0 0.15000 0.15000 UNCH H10 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -3.336900 5.384900 -1.395000 1XA 0 0.15000 0.15000 UNCH H11 25
38 [FEJKIO,38,38,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
32 2 1 3 1 4 1 8 1 0 0 0 0 0.032400 0.769400 8.342200 1XA 0 -0.95900 -0.95900 CHGB N1 1
3 1 1 9 1 10 1 20 1 0 0 0 0 -0.304300 1.243900 9.752500 1XA 0 0.50300 0.50300 CHGB C1 2
3 1 1 11 1 12 1 21 1 0 0 0 0 -1.085800 1.071300 7.348400 1XA 0 0.50300 0.50300 CHGB C2 3
3 1 1 5 1 13 1 14 1 0 0 0 0 1.360200 1.336100 7.845300 1XA 0 0.59800 0.59800 CHGB C3 4
3 4 1 6 1 7 1 15 1 0 0 0 0 2.545000 0.875900 8.629800 1XA 0 -0.19500 -0.19500 CHGB C4 5
3 5 1 7 1 16 1 17 1 0 0 0 0 3.087700 1.676800 9.788900 1XA 0 -0.20000 -0.20000 CHGB C5 6
3 5 1 6 1 18 1 19 1 0 0 0 0 3.854000 1.612700 8.497500 1XA 0 -0.20000 -0.20000 CHGB C6 7
44 1 1 0 0 0 0 0 0 0 0 0 0 0.183500 -0.250600 8.365500 1XA 0 0.45000 0.45000 CHGB H1 8
41 2 1 0 0 0 0 0 0 0 0 0 0 0.489400 0.897300 10.419400 1XA 0 0.00000 0.00000 CHGB H2 9
41 2 1 0 0 0 0 0 0 0 0 0 0 -0.323900 2.338800 9.728400 1XA 0 0.00000 0.00000 CHGB H3 10
41 3 1 0 0 0 0 0 0 0 0 0 0 -0.802800 0.620000 6.392200 1XA 0 0.00000 0.00000 CHGB H4 11
41 3 1 0 0 0 0 0 0 0 0 0 0 -1.135100 2.160900 7.243600 1XA 0 0.00000 0.00000 CHGB H5 12
41 4 1 0 0 0 0 0 0 0 0 0 0 1.260200 2.427900 7.844600 1XA 0 0.00000 0.00000 CHGB H6 13
41 4 1 0 0 0 0 0 0 0 0 0 0 1.469300 0.996300 6.809300 1XA 0 0.00000 0.00000 CHGB H7 14
41 5 1 0 0 0 0 0 0 0 0 0 0 2.622500 -0.206300 8.670000 1XA 0 0.10000 0.10000 CHGB H8 15
41 6 1 0 0 0 0 0 0 0 0 0 0 3.511300 1.145900 10.637200 1XA 0 0.10000 0.10000 CHGB H9 16
41 6 1 0 0 0 0 0 0 0 0 0 0 2.655200 2.636700 10.049500 1XA 0 0.10000 0.10000 CHGB H10 17
41 7 1 0 0 0 0 0 0 0 0 0 0 4.774500 1.034600 8.486200 1XA 0 0.10000 0.10000 CHGB H11 18
41 7 1 0 0 0 0 0 0 0 0 0 0 3.910300 2.515100 7.896800 1XA 0 0.10000 0.10000 CHGB H12 19
3 2 1 22 1 23 1 24 1 0 0 0 0 -1.664800 0.680000 10.231400 1XA 0 0.50300 0.50300 CHGB C2B 20
3 3 1 22 1 25 1 26 1 0 0 0 0 -2.446200 0.507500 7.827300 1XA 0 0.50300 0.50300 CHGB C1B 21
32 20 1 21 1 27 1 28 1 0 0 0 0 -2.782900 0.982000 9.237600 1XA 0 -0.95900 -0.95900 CHGB N1B 22
41 20 1 0 0 0 0 0 0 0 0 0 0 -1.947800 1.131400 11.187600 1XA 0 0.00000 0.00000 CHGB H4B 23
41 20 1 0 0 0 0 0 0 0 0 0 0 -1.615400 -0.409500 10.336200 1XA 0 0.00000 0.00000 CHGB H5B 24
41 21 1 0 0 0 0 0 0 0 0 0 0 -3.239900 0.854100 7.160400 1XA 0 0.00000 0.00000 CHGB H2B 25
41 21 1 0 0 0 0 0 0 0 0 0 0 -2.426600 -0.587400 7.851400 1XA 0 0.00000 0.00000 CHGB H3B 26
3 22 1 29 1 30 1 31 1 0 0 0 0 -4.110700 0.415300 9.734500 1XA 0 0.59800 0.59800 CHGB C3B 27
44 22 1 0 0 0 0 0 0 0 0 0 0 -2.934000 2.002000 9.214400 1XA 0 0.45000 0.45000 CHGB H1B 28
3 27 1 32 1 33 1 34 1 0 0 0 0 -5.295500 0.875500 8.950000 1XA 0 -0.19500 -0.19500 CHGB C4B 29
41 27 1 0 0 0 0 0 0 0 0 0 0 -4.010700 -0.676500 9.735200 1XA 0 0.00000 0.00000 CHGB H6B 30
41 27 1 0 0 0 0 0 0 0 0 0 0 -4.219900 0.755100 10.770500 1XA 0 0.00000 0.00000 CHGB H7B 31
3 29 1 33 1 35 1 36 1 0 0 0 0 -5.838300 0.074600 7.790900 1XA 0 -0.20000 -0.20000 CHGB C5B 32
3 29 1 32 1 37 1 38 1 0 0 0 0 -6.604500 0.138700 9.082300 1XA 0 -0.20000 -0.20000 CHGB C6B 33
41 29 1 0 0 0 0 0 0 0 0 0 0 -5.373000 1.957700 8.909800 1XA 0 0.10000 0.10000 CHGB H8B 34
41 32 1 0 0 0 0 0 0 0 0 0 0 -6.261800 0.605400 6.942600 1XA 0 0.10000 0.10000 CHGB H9B 35
41 32 1 0 0 0 0 0 0 0 0 0 0 -5.405700 -0.885300 7.530300 1XA 0 0.10000 0.10000 CHGB H10B 36
41 33 1 0 0 0 0 0 0 0 0 0 0 -7.525000 0.716800 9.093600 1XA 0 0.10000 0.10000 CHGB H11B 37
41 33 1 0 0 0 0 0 0 0 0 0 0 -6.660900 -0.763700 9.683000 1XA 0 0.10000 0.10000 CHGB H12B 38
20 [FELYIE,20,20,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 5 2 0 0 0 0 0 0 0 0 0 0 2.271600 1.821200 2.590000 1XA 0 -0.38000 -0.38000 UNCH S1 1
16 6 1 9 1 0 0 0 0 0 0 0 0 5.948700 1.280000 1.227600 1XA 0 -0.28000 -0.28000 UNCH O1 2
16 11 1 16 1 0 0 0 0 0 0 0 0 2.555300 1.062000 -2.025400 1XA 0 -0.68000 -0.68000 UNCH O2 3
25 5 1 10 1 15 1 0 0 0 0 0 0 3.509200 0.415900 0.622000 1XA 0 -0.73010 -0.73010 UNCH N1 4
2 1 2 4 1 6 1 0 0 0 0 0 0 3.577400 1.281400 1.695400 1XA 0 0.52500 0.52500 UNCH C1 5
2 2 1 5 1 7 2 0 0 0 0 0 0 4.918000 1.729500 2.023000 1XA 0 0.05500 0.05500 UNCH C2 6
2 6 2 8 1 12 1 0 0 0 0 0 0 5.447200 2.555500 3.002600 1XA 0 -0.15000 -0.15000 UNCH C3 7
2 7 1 9 2 13 1 0 0 0 0 0 0 6.847100 2.607800 2.795400 1XA 0 -0.15000 -0.15000 UNCH C4 8
2 2 1 8 2 14 1 0 0 0 0 0 0 7.100300 1.814900 1.704000 1XA 0 -0.01000 -0.01000 UNCH C5 9
3 4 1 11 1 17 1 18 1 0 0 0 0 2.316300 -0.190600 0.034900 1XA 0 0.30010 0.30010 UNCH C6 10
3 3 1 10 1 19 1 20 1 0 0 0 0 1.642100 0.733400 -0.979400 1XA 0 0.28000 0.28000 UNCH C7 11
41 7 1 0 0 0 0 0 0 0 0 0 0 4.888600 3.062100 3.778500 1XA 0 0.15000 0.15000 UNCH H1 12
41 8 1 0 0 0 0 0 0 0 0 0 0 7.579200 3.156000 3.371800 1XA 0 0.15000 0.15000 UNCH H2 13
41 9 1 0 0 0 0 0 0 0 0 0 0 8.000100 1.542600 1.169600 1XA 0 0.15000 0.15000 UNCH H3 14
43 4 1 0 0 0 0 0 0 0 0 0 0 4.401300 0.178200 0.195300 1XA 0 0.37000 0.37000 UNCH H4 15
42 3 1 0 0 0 0 0 0 0 0 0 0 3.288500 1.542200 -1.600100 1XA 0 0.40000 0.40000 UNCH H5 16
41 10 1 0 0 0 0 0 0 0 0 0 0 1.615300 -0.473700 0.825300 1XA 0 0.00000 0.00000 UNCH H6 17
41 10 1 0 0 0 0 0 0 0 0 0 0 2.659600 -1.102000 -0.466200 1XA 0 0.00000 0.00000 UNCH H7 18
41 11 1 0 0 0 0 0 0 0 0 0 0 1.298800 1.665600 -0.521300 1XA 0 0.00000 0.00000 UNCH H8 19
41 11 1 0 0 0 0 0 0 0 0 0 0 0.779100 0.233600 -1.429200 1XA 0 0.00000 0.00000 UNCH H9 20
25 [FELYUQ,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 10 1 6 2 2 1 0 0 0 0 0 0 6.719700 3.612800 2.766400 1XA 0 0.11700 0.11700 FELY C1 1
2 1 1 15 1 3 2 0 0 0 0 0 0 5.890800 2.692200 3.420900 1XA 0 -0.15000 -0.15000 FELY C2 2
2 2 2 16 1 4 1 0 0 0 0 0 0 4.491800 2.792700 3.358100 1XA 0 -0.15000 -0.15000 FELY C3 3
2 3 1 7 1 5 2 0 0 0 0 0 0 3.890000 3.823300 2.633800 1XA 0 0.08620 0.08620 FELY C4 4
2 4 2 17 1 6 1 0 0 0 0 0 0 4.703600 4.748700 1.974500 1XA 0 -0.15000 -0.15000 FELY C5 5
2 1 2 5 1 18 1 0 0 0 0 0 0 6.098900 4.643500 2.041600 1XA 0 -0.15000 -0.15000 FELY C6 6
2 4 1 9 1 8 2 0 0 0 0 0 0 2.408200 3.974200 2.534300 1XA 0 0.42280 0.42280 FELY C7 7
15 7 2 0 0 0 0 0 0 0 0 0 0 1.930100 4.862900 1.832200 1XA 0 -0.57000 -0.57000 FELY O1 8
3 7 1 21 1 20 1 19 1 0 0 0 0 1.524500 3.023900 3.299100 1XA 0 0.06100 0.06100 FELY C8 9
25 1 1 12 1 11 1 0 0 0 0 0 0 8.139200 3.527400 2.806200 1XA 0 -0.14150 -0.14150 FELY N1 10
16 10 1 22 1 0 0 0 0 0 0 0 0 8.825000 4.532500 2.081200 1XA 0 -0.43550 -0.43550 FELY O2 11
2 10 1 14 1 13 2 0 0 0 0 0 0 8.925100 2.683800 3.583200 1XA 0 0.56900 0.56900 FELY C9 12
15 12 2 0 0 0 0 0 0 0 0 0 0 8.516100 1.774300 4.305100 1XA 0 -0.57000 -0.57000 FELY O3 13
3 12 1 25 1 24 1 23 1 0 0 0 0 10.412600 2.938900 3.486800 1XA 0 0.06100 0.06100 FELY C10 14
41 2 1 0 0 0 0 0 0 0 0 0 0 6.300600 1.865400 3.994300 1XA 0 0.15000 0.15000 FELY H1 15
41 3 1 0 0 0 0 0 0 0 0 0 0 3.904200 2.046500 3.885600 1XA 0 0.15000 0.15000 FELY H2 16
41 5 1 0 0 0 0 0 0 0 0 0 0 4.258600 5.564600 1.406800 1XA 0 0.15000 0.15000 FELY H3 17
41 6 1 0 0 0 0 0 0 0 0 0 0 6.686700 5.399000 1.525500 1XA 0 0.15000 0.15000 FELY H4 18
41 9 1 0 0 0 0 0 0 0 0 0 0 1.746300 3.075200 4.368200 1XA 0 0.00000 0.00000 FELY H5 19
41 9 1 0 0 0 0 0 0 0 0 0 0 0.478600 3.314200 3.158400 1XA 0 0.00000 0.00000 FELY H6 20
41 9 1 0 0 0 0 0 0 0 0 0 0 1.649600 2.005600 2.922100 1XA 0 0.00000 0.00000 FELY H7 21
42 11 1 0 0 0 0 0 0 0 0 0 0 8.859600 4.127800 1.194500 1XA 0 0.40000 0.40000 FELY H8 22
41 14 1 0 0 0 0 0 0 0 0 0 0 10.752600 2.808400 2.455800 1XA 0 0.00000 0.00000 FELY H9 23
41 14 1 0 0 0 0 0 0 0 0 0 0 10.646500 3.946300 3.841700 1XA 0 0.00000 0.00000 FELY H10 24
41 14 1 0 0 0 0 0 0 0 0 0 0 10.946400 2.221000 4.117100 1XA 0 0.00000 0.00000 FELY H11 25
25 [FEMGEJ,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
15 12 2 0 0 0 0 0 0 0 0 0 0 5.554900 2.634600 4.275300 1XA 0 -0.90000 -0.90000 FEMG O1 1
18 12 1 0 0 0 0 0 0 0 0 0 0 6.859800 1.573900 5.780200 1XA 0 -0.90000 -0.90000 FEMG O2 2
3 4 1 10 1 11 1 13 1 0 0 0 0 4.170300 0.794400 6.939200 1XA 0 -0.06000 -0.06000 FEMG C1 3
2 3 1 5 2 14 1 0 0 0 0 0 0 3.905200 -0.537700 7.493000 1XA 0 -0.19000 -0.19000 FEMG C2 4
2 4 2 6 1 15 1 0 0 0 0 0 0 2.792400 -1.058600 8.033800 1XA 0 -0.28820 -0.28820 FEMG C3 5
3 5 1 7 1 16 1 17 1 0 0 0 0 1.428100 -0.470100 8.262600 1XA 0 0.13820 0.13820 FEMG C4 6
3 6 1 8 1 18 1 19 1 0 0 0 0 1.125200 0.971800 7.853000 1XA 0 0.00000 0.00000 FEMG C5 7
3 7 1 9 1 20 1 21 1 0 0 0 0 0.876200 1.182700 6.354600 1XA 0 0.00000 0.00000 FEMG C6 8
3 8 1 10 1 22 1 23 1 0 0 0 0 2.033100 0.800300 5.434100 1XA 0 0.09500 0.09500 FEMG C7 9
3 3 1 9 1 11 1 24 1 0 0 0 0 3.311100 1.429500 5.880800 1XA 0 -0.19500 -0.19500 FEMG C8 10
3 3 1 10 1 12 1 25 1 0 0 0 0 4.649700 0.838300 5.490100 1XA 0 -0.24700 -0.24700 FEMG C9 11
2 1 2 2 1 11 1 0 0 0 0 0 0 5.762700 1.748100 5.162300 1XA 0 0.94700 0.94700 FEMG C10 12
41 3 1 0 0 0 0 0 0 0 0 0 0 4.671700 1.464900 7.633300 1XA 0 0.10000 0.10000 FEMG H4 13
41 4 1 0 0 0 0 0 0 0 0 0 0 4.776800 -1.193100 7.455000 1XA 0 0.15000 0.15000 FEMG H5 14
41 5 1 0 0 0 0 0 0 0 0 0 0 2.873700 -2.090900 8.374600 1XA 0 0.15000 0.15000 FEMG H6 15
41 6 1 0 0 0 0 0 0 0 0 0 0 1.242700 -0.544400 9.342600 1XA 0 0.00000 0.00000 FEMG H7 16
41 6 1 0 0 0 0 0 0 0 0 0 0 0.692900 -1.132000 7.787300 1XA 0 0.00000 0.00000 FEMG H8 17
41 7 1 0 0 0 0 0 0 0 0 0 0 0.207000 1.277200 8.372700 1XA 0 0.00000 0.00000 FEMG H9 18
41 7 1 0 0 0 0 0 0 0 0 0 0 1.903200 1.650500 8.220300 1XA 0 0.00000 0.00000 FEMG H10 19
41 8 1 0 0 0 0 0 0 0 0 0 0 0.640800 2.244100 6.202200 1XA 0 0.00000 0.00000 FEMG H11 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.017000 0.623600 6.050100 1XA 0 0.00000 0.00000 FEMG H12 21
41 9 1 0 0 0 0 0 0 0 0 0 0 2.115700 -0.290100 5.363300 1XA 0 0.00000 0.00000 FEMG H13 22
41 9 1 0 0 0 0 0 0 0 0 0 0 1.805600 1.148300 4.419100 1XA 0 0.00000 0.00000 FEMG H14 23
41 10 1 0 0 0 0 0 0 0 0 0 0 3.246000 2.514400 5.868400 1XA 0 0.10000 0.10000 FEMG H15 24
41 11 1 0 0 0 0 0 0 0 0 0 0 4.622800 -0.086900 4.925900 1XA 0 0.10000 0.10000 FEMG H16 25
18 [FENCOQ,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 5 1 4 1 0 0 0 0 0 0 0 0 1.621500 6.987800 4.233700 1XA 0 -0.11710 -0.11710 FENC O1 1
18 4 1 0 0 0 0 0 0 0 0 0 0 1.621500 7.677800 2.055500 1XA 0 -0.63300 -0.63300 FENC O2 2
16 12 1 6 1 0 0 0 0 0 0 0 0 1.621500 1.210400 3.890600 1XA 0 -0.33700 -0.33700 FENC O3 3
31 1 1 2 1 7 2 0 0 0 0 0 0 1.621500 6.698500 2.833400 1XA 0 0.95300 0.95300 FENC N1 4
25 1 1 8 2 0 0 0 0 0 0 0 0 1.621500 5.777800 4.915100 1XA 0 -0.40970 -0.40970 FENC N2 5
25 3 1 10 2 0 0 0 0 0 0 0 0 1.621500 2.525500 3.408200 1XA 0 -0.51300 -0.51300 FENC N3 6
2 4 2 9 1 8 1 0 0 0 0 0 0 1.621500 5.373500 2.687900 1XA 0 -0.26300 -0.26300 FENC C1 7
2 5 2 7 1 10 1 0 0 0 0 0 0 1.621500 4.807600 3.989300 1XA 0 0.20280 0.20280 FENC C2 8
3 7 1 17 1 14 1 13 1 0 0 0 0 1.621500 4.770200 1.347800 1XA 0 0.18100 0.18100 FENC C3 9
2 6 2 8 1 11 1 0 0 0 0 0 0 1.621500 3.394800 4.380000 1XA 0 0.47500 0.47500 FENC C4 10
3 10 1 18 1 16 1 15 1 0 0 0 0 1.621500 2.996900 5.840600 1XA 0 0.06100 0.06100 FENC C5 11
42 3 1 0 0 0 0 0 0 0 0 0 0 1.621500 0.680000 3.071100 1XA 0 0.40000 0.40000 FENC H1 12
41 9 1 0 0 0 0 0 0 0 0 0 0 1.621500 5.519700 0.550000 1XA 0 0.00000 0.00000 FENC H2 13
41 9 1 0 0 0 0 0 0 0 0 0 0 2.509100 4.144600 1.208900 1XA 0 0.00000 0.00000 FENC H3 14
41 11 1 0 0 0 0 0 0 0 0 0 0 1.621500 3.857900 6.511600 1XA 0 0.00000 0.00000 FENC H4 15
41 11 1 0 0 0 0 0 0 0 0 0 0 2.512200 2.397400 6.052100 1XA 0 0.00000 0.00000 FENC H5 16
41 9 1 0 0 0 0 0 0 0 0 0 0 0.733900 4.144600 1.208900 1XA 0 0.00000 0.00000 FENC H3A 17
41 11 1 0 0 0 0 0 0 0 0 0 0 0.730800 2.397400 6.052100 1XA 0 0.00000 0.00000 FENC H5A 18
17 [FENHAH,17,17,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 1 5 2 6 1 0 0 0 0 0 0 -1.660600 0.855400 0.576600 1XA 0 0.43000 0.43000 UNCH C1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -1.225700 -0.320600 1.158700 1XA 0 -0.56530 -0.56530 UNCH N2 2
2 2 2 4 1 10 1 0 0 0 0 0 0 -2.090200 -1.197900 0.709600 1XA 0 0.29810 0.29810 UNCH C3 3
16 3 1 5 1 0 0 0 0 0 0 0 0 -3.033100 -0.658500 -0.113000 1XA 0 -0.01910 -0.01910 UNCH O4 4
25 1 2 4 1 0 0 0 0 0 0 0 0 -2.750200 0.704000 -0.204800 1XA 0 -0.40970 -0.40970 UNCH N5 5
2 1 1 7 2 8 1 0 0 0 0 0 0 -1.007300 2.162400 0.770100 1XA 0 0.71600 0.71600 UNCH C6 6
15 6 2 0 0 0 0 0 0 0 0 0 0 0.002600 2.318300 1.452500 1XA 0 -0.57000 -0.57000 UNCH O7 7
25 6 1 9 1 11 1 0 0 0 0 0 0 -1.624300 3.209200 0.103600 1XA 0 -0.73010 -0.73010 UNCH N8 8
3 8 1 12 1 13 1 14 1 0 0 0 0 -1.059400 4.530900 0.078700 1XA 0 0.30010 0.30010 UNCH C9 9
3 3 1 15 1 16 1 17 1 0 0 0 0 -2.181500 -2.645800 0.962700 1XA 0 0.18000 0.18000 UNCH C10 10
43 8 1 0 0 0 0 0 0 0 0 0 0 -2.387000 2.970900 -0.522200 1XA 0 0.37000 0.37000 UNCH H8 11
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.845100 5.240300 -0.190900 1XA 0 0.00000 0.00000 UNCH H91 12
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.264900 4.556600 -0.671600 1XA 0 0.00000 0.00000 UNCH H92 13
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.644300 4.787500 1.056900 1XA 0 0.00000 0.00000 UNCH H93 14
41 10 1 0 0 0 0 0 0 0 0 0 0 -1.380700 -2.972400 1.632700 1XA 0 0.00000 0.00000 UNCH H101 15
41 10 1 0 0 0 0 0 0 0 0 0 0 -2.094000 -3.205200 0.026600 1XA 0 0.00000 0.00000 UNCH H102 16
41 10 1 0 0 0 0 0 0 0 0 0 0 -3.139800 -2.894200 1.428300 1XA 0 0.00000 0.00000 UNCH H103 17
31 [FENJIR,31,31,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 1 9 1 0 0 0 0 0 0 0 0 2.221000 3.362600 5.205800 1XA 0 -0.46000 -0.46000 UNCH S1 1
3 1 1 3 1 15 1 16 1 0 0 0 0 1.329600 4.919300 5.496600 1XA 0 0.23000 0.23000 UNCH C2 2
3 2 1 4 1 17 1 18 1 0 0 0 0 1.936800 5.907100 4.515200 1XA 0 0.30010 0.30010 UNCH C3 3
25 3 1 5 1 9 1 0 0 0 0 0 0 2.263800 5.153600 3.311700 1XA 0 -0.66020 -0.66020 UNCH N4 4
2 4 1 6 2 7 1 0 0 0 0 0 0 1.263600 4.863300 2.362000 1XA 0 0.50000 0.50000 UNCH C5 5
49 5 2 0 0 0 0 0 0 0 0 0 0 0.024700 5.826800 1.831700 1XA 0 -0.38000 -0.38000 UNCH S5 6
25 5 1 8 1 19 1 0 0 0 0 0 0 1.440500 3.573500 1.891900 1XA 0 -0.73010 -0.73010 UNCH N6 7
3 7 1 9 1 11 1 12 1 0 0 0 0 2.721400 3.024700 2.325200 1XA 0 0.30010 0.30010 UNCH C7 8
3 1 1 4 1 8 1 10 1 0 0 0 0 3.052300 3.945500 3.580000 1XA 0 0.80010 0.80010 UNCH C71 9
26 9 1 13 1 14 1 0 0 0 0 0 0 4.428400 4.308200 3.954900 1XA 0 -0.81000 -0.81000 UNCH N71 10
3 8 1 20 1 21 1 22 1 0 0 0 0 3.677200 3.203000 1.130400 1XA 0 0.00000 0.00000 UNCH C8 11
3 8 1 23 1 24 1 25 1 0 0 0 0 2.591300 1.526900 2.619500 1XA 0 0.00000 0.00000 UNCH C9 12
3 10 1 26 1 27 1 28 1 0 0 0 0 5.106500 5.281500 3.105500 1XA 0 0.27000 0.27000 UNCH C10 13
3 10 1 29 1 30 1 31 1 0 0 0 0 5.304200 3.168900 4.218500 1XA 0 0.27000 0.27000 UNCH C11 14
41 2 1 0 0 0 0 0 0 0 0 0 0 1.431200 5.253100 6.532500 1XA 0 0.00000 0.00000 UNCH H21 15
41 2 1 0 0 0 0 0 0 0 0 0 0 0.269300 4.750700 5.284200 1XA 0 0.00000 0.00000 UNCH H22 16
41 3 1 0 0 0 0 0 0 0 0 0 0 2.860400 6.340900 4.915900 1XA 0 0.00000 0.00000 UNCH H31 17
41 3 1 0 0 0 0 0 0 0 0 0 0 1.251400 6.733500 4.308300 1XA 0 0.00000 0.00000 UNCH H32 18
43 7 1 0 0 0 0 0 0 0 0 0 0 0.902900 3.239600 1.100500 1XA 0 0.37000 0.37000 UNCH H6 19
41 11 1 0 0 0 0 0 0 0 0 0 0 3.760100 4.252100 0.826600 1XA 0 0.00000 0.00000 UNCH H81 20
41 11 1 0 0 0 0 0 0 0 0 0 0 3.300800 2.664100 0.251300 1XA 0 0.00000 0.00000 UNCH H82 21
41 11 1 0 0 0 0 0 0 0 0 0 0 4.676300 2.812000 1.335600 1XA 0 0.00000 0.00000 UNCH H83 22
41 12 1 0 0 0 0 0 0 0 0 0 0 3.513000 1.121800 3.048100 1XA 0 0.00000 0.00000 UNCH H91 23
41 12 1 0 0 0 0 0 0 0 0 0 0 2.377900 0.965700 1.701500 1XA 0 0.00000 0.00000 UNCH H92 24
41 12 1 0 0 0 0 0 0 0 0 0 0 1.763300 1.306700 3.300700 1XA 0 0.00000 0.00000 UNCH H93 25
41 13 1 0 0 0 0 0 0 0 0 0 0 4.492100 6.161000 2.890200 1XA 0 0.00000 0.00000 UNCH H101 26
41 13 1 0 0 0 0 0 0 0 0 0 0 5.453900 4.861800 2.158500 1XA 0 0.00000 0.00000 UNCH H102 27
41 13 1 0 0 0 0 0 0 0 0 0 0 5.992200 5.665800 3.626000 1XA 0 0.00000 0.00000 UNCH H103 28
41 14 1 0 0 0 0 0 0 0 0 0 0 6.245300 3.513000 4.664000 1XA 0 0.00000 0.00000 UNCH H111 29
41 14 1 0 0 0 0 0 0 0 0 0 0 5.555300 2.608000 3.314400 1XA 0 0.00000 0.00000 UNCH H112 30
41 14 1 0 0 0 0 0 0 0 0 0 0 4.875600 2.467900 4.941000 1XA 0 0.00000 0.00000 UNCH H113 31
34 [FENJOX,34,34,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 5 1 2 1 0 0 0 0 0 0 0 0 8.097200 3.632600 1.779200 1XA 0 -0.37100 -0.37100 FENJ S1 1
2 1 1 6 1 3 2 0 0 0 0 0 0 6.494900 2.960500 1.540400 1XA 0 0.53000 0.53000 FENJ C2 2
25 2 2 4 1 0 0 0 0 0 0 0 0 6.157300 2.673500 0.316500 1XA 0 -0.69600 -0.69600 FENJ N3 3
3 3 1 34 1 16 1 5 1 0 0 0 0 7.297900 2.936200 -0.585100 1XA 0 0.24600 0.24600 FENJ C4 4
3 1 1 4 1 18 1 17 1 0 0 0 0 8.207000 3.991300 0.019600 1XA 0 0.23000 0.23000 FENJ C5 5
3 2 1 10 1 9 1 7 1 0 0 0 0 5.539500 2.722800 2.741700 1XA 0 0.36110 0.36110 FENJ C6 6
3 6 1 20 1 19 1 8 1 0 0 0 0 6.142000 1.644000 3.672300 1XA 0 0.00000 0.00000 FENJ C7 7
3 7 1 23 1 22 1 21 1 0 0 0 0 6.311500 0.272600 3.024400 1XA 0 0.00000 0.00000 FENJ C8 8
3 6 1 26 1 25 1 24 1 0 0 0 0 5.344400 4.055900 3.482000 1XA 0 0.00000 0.00000 FENJ C9 9
25 6 1 27 1 11 1 0 0 0 0 0 0 4.262600 2.294100 2.097700 1XA 0 -0.73010 -0.73010 FENJ N10 10
2 10 1 13 1 12 2 0 0 0 0 0 0 3.027300 1.934900 2.586400 1XA 0 0.50000 0.50000 FENJ C11 11
49 11 2 0 0 0 0 0 0 0 0 0 0 2.648000 1.821400 4.216500 1XA 0 -0.38000 -0.38000 FENJ S11 12
25 11 1 15 1 14 1 0 0 0 0 0 0 2.101400 1.673000 1.561200 1XA 0 -0.66020 -0.66020 FENJ N12 13
3 13 1 30 1 29 1 28 1 0 0 0 0 0.866200 0.927400 1.797100 1XA 0 0.30010 0.30010 FENJ C13 14
3 13 1 33 1 32 1 31 1 0 0 0 0 2.190400 2.293100 0.240100 1XA 0 0.30010 0.30010 FENJ C14 15
41 4 1 0 0 0 0 0 0 0 0 0 0 6.925100 3.275400 -1.557500 1XA 0 0.00000 0.00000 FENJ H41 16
41 5 1 0 0 0 0 0 0 0 0 0 0 7.816300 4.996800 -0.164900 1XA 0 0.00000 0.00000 FENJ H51 17
41 5 1 0 0 0 0 0 0 0 0 0 0 9.231000 3.926400 -0.356400 1XA 0 0.00000 0.00000 FENJ H52 18
41 7 1 0 0 0 0 0 0 0 0 0 0 5.529200 1.524200 4.571000 1XA 0 0.00000 0.00000 FENJ H71 19
41 7 1 0 0 0 0 0 0 0 0 0 0 7.124000 1.969900 4.037300 1XA 0 0.00000 0.00000 FENJ H72 20
41 8 1 0 0 0 0 0 0 0 0 0 0 5.352800 -0.140800 2.698000 1XA 0 0.00000 0.00000 FENJ H81 21
41 8 1 0 0 0 0 0 0 0 0 0 0 6.982200 0.314600 2.161200 1XA 0 0.00000 0.00000 FENJ H82 22
41 8 1 0 0 0 0 0 0 0 0 0 0 6.745000 -0.427500 3.746200 1XA 0 0.00000 0.00000 FENJ H83 23
41 9 1 0 0 0 0 0 0 0 0 0 0 6.280100 4.420600 3.919000 1XA 0 0.00000 0.00000 FENJ H91 24
41 9 1 0 0 0 0 0 0 0 0 0 0 4.974700 4.831600 2.800800 1XA 0 0.00000 0.00000 FENJ H92 25
41 9 1 0 0 0 0 0 0 0 0 0 0 4.629700 3.976300 4.304500 1XA 0 0.00000 0.00000 FENJ H93 26
43 10 1 0 0 0 0 0 0 0 0 0 0 4.410400 2.047300 1.123200 1XA 0 0.37000 0.37000 FENJ H10 27
41 14 1 0 0 0 0 0 0 0 0 0 0 0.972300 0.216500 2.619900 1XA 0 0.00000 0.00000 FENJ H131 28
41 14 1 0 0 0 0 0 0 0 0 0 0 0.064400 1.637000 2.021900 1XA 0 0.00000 0.00000 FENJ H132 29
41 14 1 0 0 0 0 0 0 0 0 0 0 0.611600 0.362200 0.894800 1XA 0 0.00000 0.00000 FENJ H133 30
41 15 1 0 0 0 0 0 0 0 0 0 0 2.503400 1.531100 -0.479100 1XA 0 0.00000 0.00000 FENJ H141 31
41 15 1 0 0 0 0 0 0 0 0 0 0 2.890700 3.131900 0.222400 1XA 0 0.00000 0.00000 FENJ H142 32
41 15 1 0 0 0 0 0 0 0 0 0 0 1.205200 2.677700 -0.042800 1XA 0 0.00000 0.00000 FENJ H143 33
41 4 1 0 0 0 0 0 0 0 0 0 0 7.839200 1.997200 -0.755700 1XA 0 0.00000 0.00000 FENJ H1 34
28 [FENJUD,28,28,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 1 7 1 15 1 0 0 0 0 0 0 2.351200 4.996300 0.038400 1XA 0 -0.73010 -0.73010 UNCH N1 1
2 1 1 3 2 4 1 0 0 0 0 0 0 2.412600 3.888500 0.854600 1XA 0 0.50000 0.50000 UNCH C2 2
49 2 2 0 0 0 0 0 0 0 0 0 0 3.242500 2.525800 0.412700 1XA 0 -0.38000 -0.38000 UNCH S2 3
25 2 1 5 1 12 1 0 0 0 0 0 0 1.701100 4.141700 1.992900 1XA 0 -0.42010 -0.42010 UNCH N3 4
2 4 1 6 2 7 1 0 0 0 0 0 0 1.127400 5.390700 1.922900 1XA 0 0.56900 0.56900 UNCH C4 5
15 5 2 0 0 0 0 0 0 0 0 0 0 0.378800 5.884900 2.755900 1XA 0 -0.57000 -0.57000 UNCH O4 6
3 1 1 5 1 8 1 11 1 0 0 0 0 1.575100 6.065700 0.615700 1XA 0 0.36110 0.36110 UNCH C5 7
3 7 1 9 1 16 1 17 1 0 0 0 0 0.385500 6.472200 -0.254600 1XA 0 0.00000 0.00000 UNCH C6 8
3 8 1 10 1 18 1 19 1 0 0 0 0 0.283400 7.979500 -0.062800 1XA 0 0.00000 0.00000 UNCH C7 9
3 9 1 11 1 20 1 21 1 0 0 0 0 1.735700 8.416100 0.031700 1XA 0 0.00000 0.00000 UNCH C8 10
3 7 1 10 1 22 1 23 1 0 0 0 0 2.396900 7.332000 0.878800 1XA 0 0.00000 0.00000 UNCH C9 11
3 4 1 13 1 24 1 25 1 0 0 0 0 1.445900 3.236500 3.110300 1XA 0 0.30010 0.30010 UNCH C10 12
3 12 1 14 1 26 1 27 1 0 0 0 0 0.152100 2.447900 2.905500 1XA 0 0.23000 0.23000 UNCH C11 13
49 13 1 28 1 0 0 0 0 0 0 0 0 -0.191200 1.369300 4.327500 1XA 0 -0.41000 -0.41000 UNCH S11 14
43 1 1 0 0 0 0 0 0 0 0 0 0 2.823500 5.030600 -0.858100 1XA 0 0.37000 0.37000 UNCH H1 15
41 8 1 0 0 0 0 0 0 0 0 0 0 0.582900 6.253600 -1.311700 1XA 0 0.00000 0.00000 UNCH H61 16
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.548800 5.971000 0.019000 1XA 0 0.00000 0.00000 UNCH H62 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.244900 8.210000 0.869800 1XA 0 0.00000 0.00000 UNCH H71 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.245200 8.467400 -0.886600 1XA 0 0.00000 0.00000 UNCH H72 19
41 10 1 0 0 0 0 0 0 0 0 0 0 2.187700 8.436700 -0.967200 1XA 0 0.00000 0.00000 UNCH H81 20
41 10 1 0 0 0 0 0 0 0 0 0 0 1.844600 9.410700 0.473700 1XA 0 0.00000 0.00000 UNCH H82 21
41 11 1 0 0 0 0 0 0 0 0 0 0 3.453100 7.224500 0.608500 1XA 0 0.00000 0.00000 UNCH H91 22
41 11 1 0 0 0 0 0 0 0 0 0 0 2.357300 7.621300 1.935800 1XA 0 0.00000 0.00000 UNCH H92 23
41 12 1 0 0 0 0 0 0 0 0 0 0 2.297900 2.557700 3.223500 1XA 0 0.00000 0.00000 UNCH H101 24
41 12 1 0 0 0 0 0 0 0 0 0 0 1.376200 3.842700 4.021700 1XA 0 0.00000 0.00000 UNCH H102 25
41 13 1 0 0 0 0 0 0 0 0 0 0 -0.698400 3.124300 2.771300 1XA 0 0.00000 0.00000 UNCH H111 26
41 13 1 0 0 0 0 0 0 0 0 0 0 0.220100 1.825600 2.007400 1XA 0 0.00000 0.00000 UNCH H112 27
41 14 1 0 0 0 0 0 0 0 0 0 0 -0.416600 2.349700 5.215800 1XA 0 0.18000 0.18000 UNCH H113 28
21 [FENNUH,21,21,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 9 1 4 2 0 0 0 0 0 0 0 0 -0.206500 5.562800 8.159900 1XA 0 -0.34320 -0.34320 FENN P1 1
26 6 1 5 1 4 1 0 0 0 0 0 0 0.114500 7.683300 9.897200 1XA 0 -0.78820 -0.78820 FENN N1 2
26 8 1 7 1 4 1 0 0 0 0 0 0 1.358500 7.771100 7.921300 1XA 0 -0.78820 -0.78820 FENN N2 3
2 1 2 2 1 3 1 0 0 0 0 0 0 0.451500 7.068200 8.697400 1XA 0 0.34740 0.34740 FENN C1 4
3 2 1 12 1 11 1 10 1 0 0 0 0 0.966200 8.735900 10.454800 1XA 0 0.36910 0.36910 FENN C2 5
3 2 1 15 1 14 1 13 1 0 0 0 0 -0.769100 7.048800 10.877200 1XA 0 0.36910 0.36910 FENN C3 6
3 3 1 18 1 17 1 16 1 0 0 0 0 0.814900 8.711000 6.938200 1XA 0 0.36910 0.36910 FENN C4 7
3 3 1 21 1 20 1 19 1 0 0 0 0 2.610000 7.141600 7.499800 1XA 0 0.36910 0.36910 FENN C5 8
41 1 1 0 0 0 0 0 0 0 0 0 0 0.484700 5.524200 6.921000 1XA 0 0.09580 0.09580 FENN H1 9
41 5 1 0 0 0 0 0 0 0 0 0 0 0.536800 9.171200 11.363600 1XA 0 0.00000 0.00000 FENN H21 10
41 5 1 0 0 0 0 0 0 0 0 0 0 1.091500 9.562300 9.747800 1XA 0 0.00000 0.00000 FENN H22 11
41 5 1 0 0 0 0 0 0 0 0 0 0 1.951400 8.331100 10.709900 1XA 0 0.00000 0.00000 FENN H23 12
41 6 1 0 0 0 0 0 0 0 0 0 0 -1.062700 7.749600 11.666700 1XA 0 0.00000 0.00000 FENN H31 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -0.268300 6.198400 11.351700 1XA 0 0.00000 0.00000 FENN H32 14
41 6 1 0 0 0 0 0 0 0 0 0 0 -1.701500 6.710500 10.413600 1XA 0 0.00000 0.00000 FENN H33 15
41 7 1 0 0 0 0 0 0 0 0 0 0 0.470100 8.182100 6.043400 1XA 0 0.00000 0.00000 FENN H41 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -0.027600 9.271700 7.357200 1XA 0 0.00000 0.00000 FENN H42 17
41 7 1 0 0 0 0 0 0 0 0 0 0 1.578600 9.437600 6.641300 1XA 0 0.00000 0.00000 FENN H43 18
41 8 1 0 0 0 0 0 0 0 0 0 0 3.361300 7.908800 7.284000 1XA 0 0.00000 0.00000 FENN H51 19
41 8 1 0 0 0 0 0 0 0 0 0 0 2.472000 6.536200 6.598000 1XA 0 0.00000 0.00000 FENN H52 20
41 8 1 0 0 0 0 0 0 0 0 0 0 3.013600 6.507100 8.296200 1XA 0 0.00000 0.00000 FENN H53 21
36 [FENYIG,36,36,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 11 1 3 1 2 2 0 0 0 0 0 0 3.086500 8.030700 2.927000 1XA 0 0.63000 0.63000 FENY C1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 3.738800 8.926200 3.406100 1XA 0 -0.57000 -0.57000 FENY O1 2
2 1 1 12 2 4 1 0 0 0 0 0 0 2.739400 7.901800 1.504200 1XA 0 0.01340 0.01340 FENY C2 3
2 3 1 6 1 5 2 0 0 0 0 0 0 1.763900 6.830300 1.260200 1XA 0 0.63000 0.63000 FENY C3 4
15 4 2 0 0 0 0 0 0 0 0 0 0 1.369700 6.464600 0.180200 1XA 0 -0.57000 -0.57000 FENY O2 5
25 4 1 11 1 7 1 0 0 0 0 0 0 1.507800 6.376400 2.537900 1XA 0 -0.36010 -0.36010 FENY N1 6
3 6 1 21 1 14 1 8 1 0 0 0 0 0.999100 5.045100 2.837500 1XA 0 0.36110 0.36110 FENY C4 7
3 7 1 23 1 22 1 9 1 0 0 0 0 0.487600 4.979600 4.282200 1XA 0 0.00000 0.00000 FENY C5 8
3 8 1 25 1 24 1 10 1 0 0 0 0 1.515000 5.536600 5.274100 1XA 0 0.00000 0.00000 FENY C6 9
3 9 1 27 1 26 1 11 1 0 0 0 0 1.965200 6.937400 4.870100 1XA 0 0.30010 0.30010 FENY C7 10
25 1 1 6 1 10 1 0 0 0 0 0 0 2.404800 6.967500 3.492300 1XA 0 -0.36010 -0.36010 FENY N2 11
204 3 2 13 2 0 0 0 0 0 0 0 0 3.236800 8.652400 0.567800 1XA 0 0.35660 0.35660 FENY N3 12
201 12 2 0 0 0 0 0 0 0 0 0 0 3.669500 9.313900 -0.255200 1XA 0 -0.37000 -0.37000 FENY N4 13
2 7 1 16 1 15 2 0 0 0 0 0 0 2.066700 3.973400 2.573200 1XA 0 0.65900 0.65900 FENY C8 14
15 14 2 0 0 0 0 0 0 0 0 0 0 3.259800 4.194800 2.418700 1XA 0 -0.57000 -0.57000 FENY O3 15
16 14 1 17 1 0 0 0 0 0 0 0 0 1.479500 2.743500 2.555200 1XA 0 -0.43000 -0.43000 FENY O4 16
3 16 1 20 1 19 1 18 1 0 0 0 0 2.267600 1.546900 2.321500 1XA 0 0.28000 0.28000 FENY C9 17
3 17 1 30 1 29 1 28 1 0 0 0 0 3.299500 1.336900 3.434900 1XA 0 0.00000 0.00000 FENY C10 18
3 17 1 33 1 32 1 31 1 0 0 0 0 1.251300 0.396000 2.370600 1XA 0 0.00000 0.00000 FENY C11 19
3 17 1 36 1 35 1 34 1 0 0 0 0 2.916000 1.569500 0.933200 1XA 0 0.00000 0.00000 FENY C12 20
41 7 1 0 0 0 0 0 0 0 0 0 0 0.179200 4.853300 2.133900 1XA 0 0.00000 0.00000 FENY H1 21
41 8 1 0 0 0 0 0 0 0 0 0 0 0.227200 3.952800 4.562700 1XA 0 0.00000 0.00000 FENY H2 22
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.430300 5.576300 4.361300 1XA 0 0.00000 0.00000 FENY H3 23
41 9 1 0 0 0 0 0 0 0 0 0 0 1.086900 5.559400 6.282200 1XA 0 0.00000 0.00000 FENY H4 24
41 9 1 0 0 0 0 0 0 0 0 0 0 2.384300 4.868400 5.308300 1XA 0 0.00000 0.00000 FENY H5 25
41 10 1 0 0 0 0 0 0 0 0 0 0 2.787800 7.278600 5.507900 1XA 0 0.00000 0.00000 FENY H6 26
41 10 1 0 0 0 0 0 0 0 0 0 0 1.147900 7.660400 4.979000 1XA 0 0.00000 0.00000 FENY H7 27
41 18 1 0 0 0 0 0 0 0 0 0 0 3.778700 0.355200 3.354000 1XA 0 0.00000 0.00000 FENY H8 28
41 18 1 0 0 0 0 0 0 0 0 0 0 2.828300 1.414900 4.421100 1XA 0 0.00000 0.00000 FENY H9 29
41 18 1 0 0 0 0 0 0 0 0 0 0 4.092100 2.090600 3.406000 1XA 0 0.00000 0.00000 FENY H10 30
41 19 1 0 0 0 0 0 0 0 0 0 0 1.728600 -0.575900 2.206900 1XA 0 0.00000 0.00000 FENY H11 31
41 19 1 0 0 0 0 0 0 0 0 0 0 0.472300 0.531500 1.611200 1XA 0 0.00000 0.00000 FENY H12 32
41 19 1 0 0 0 0 0 0 0 0 0 0 0.737600 0.370900 3.338700 1XA 0 0.00000 0.00000 FENY H13 33
41 20 1 0 0 0 0 0 0 0 0 0 0 3.371300 0.603300 0.690500 1XA 0 0.00000 0.00000 FENY H14 34
41 20 1 0 0 0 0 0 0 0 0 0 0 3.701200 2.328000 0.860300 1XA 0 0.00000 0.00000 FENY H15 35
41 20 1 0 0 0 0 0 0 0 0 0 0 2.175300 1.809400 0.162100 1XA 0 0.00000 0.00000 FENY H16 36
13 [FEPWAY,13,13,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 5 2 0 0 0 0 0 0 0 0 0 0 4.091900 3.129100 9.719000 1XA 0 -0.75000 -0.75000 FEPW S1 1
51 5 1 0 0 0 0 0 0 0 0 0 0 5.422400 1.121100 7.927300 1XA 0 -0.75000 -0.75000 FEPW S2 2
25 5 1 6 1 8 1 0 0 0 0 0 0 3.353500 0.661600 9.628000 1XA 0 -0.83240 -0.83240 FEPW N1 3
31 6 2 9 1 10 1 0 0 0 0 0 0 3.884700 -1.339800 8.549200 1XA 0 -0.75440 -0.75440 FEPW N2 4
2 1 2 2 1 3 1 0 0 0 0 0 0 4.275700 1.576600 9.085100 1XA 0 1.02800 1.02800 FEPW C1 5
2 3 1 4 2 7 1 0 0 0 0 0 0 3.178200 -0.624000 9.394500 1XA 0 0.60380 0.60380 FEPW C2 6
3 6 1 11 1 12 1 13 1 0 0 0 0 2.101900 -1.309400 10.144000 1XA 0 0.10500 0.10500 FEPW C3 7
43 3 1 0 0 0 0 0 0 0 0 0 0 2.716000 1.053000 10.313600 1XA 0 0.45000 0.45000 FEPW H1 8
44 4 1 0 0 0 0 0 0 0 0 0 0 4.629500 -0.860100 8.032100 1XA 0 0.45000 0.45000 FEPW H2 9
44 4 1 0 0 0 0 0 0 0 0 0 0 3.733700 -2.323300 8.385500 1XA 0 0.45000 0.45000 FEPW H3 10
41 7 1 0 0 0 0 0 0 0 0 0 0 2.034600 -2.370100 9.882400 1XA 0 0.00000 0.00000 FEPW H4 11
41 7 1 0 0 0 0 0 0 0 0 0 0 1.134100 -0.846500 9.925800 1XA 0 0.00000 0.00000 FEPW H5 12
41 7 1 0 0 0 0 0 0 0 0 0 0 2.285900 -1.238900 11.220800 1XA 0 0.00000 0.00000 FEPW H6 13
12 [FEPWOM,12,12,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 5 1 6 1 0 0 0 0 0 0 0 0 4.002900 1.540700 4.412800 1XA 0 -0.26600 -0.26600 UNCH S1 1
56 5 1 0 0 0 0 0 0 0 0 0 0 1.874200 1.688900 5.857500 1XA 0 -0.34000 -0.34000 UNCH F1 2
56 5 1 0 0 0 0 0 0 0 0 0 0 1.697900 2.668100 3.935000 1XA 0 -0.34000 -0.34000 UNCH F2 3
24 6 3 0 0 0 0 0 0 0 0 0 0 4.570000 3.138700 2.132300 1XA 0 -0.55710 -0.55710 UNCH N1 4
3 1 1 2 1 3 1 7 1 0 0 0 0 2.554800 2.481100 4.979000 1XA 0 0.91000 0.91000 UNCH C1 5
1 1 1 4 3 0 0 0 0 0 0 0 0 4.340300 2.483300 3.059500 1XA 0 0.59310 0.59310 UNCH C2 6
3 5 1 8 1 9 1 10 1 0 0 0 0 2.898200 3.836900 5.651500 1XA 0 0.91000 0.91000 UNCH C1B 7
49 7 1 11 1 0 0 0 0 0 0 0 0 1.450100 4.777300 6.217700 1XA 0 -0.26600 -0.26600 UNCH S1B 8
56 7 1 0 0 0 0 0 0 0 0 0 0 3.578800 4.629100 4.773000 1XA 0 -0.34000 -0.34000 UNCH F1B 9
56 7 1 0 0 0 0 0 0 0 0 0 0 3.755100 3.649900 6.695400 1XA 0 -0.34000 -0.34000 UNCH F2B 10
1 8 1 12 3 0 0 0 0 0 0 0 0 1.112700 3.834700 7.571000 1XA 0 0.59310 0.59310 UNCH C2B 11
24 11 3 0 0 0 0 0 0 0 0 0 0 0.883000 3.179400 8.498100 1XA 0 -0.55710 -0.55710 UNCH N1B 12
10 [FESCAH,10,10,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 1 5 1 6 1 0 0 0 0 0 0 3.851400 0.000000 1.415300 1XA 0 -0.18000 -0.18000 UNCH N1 1
2 1 1 3 2 4 1 0 0 0 0 0 0 4.698200 -1.082500 1.415300 1XA 0 0.57000 0.57000 UNCH C1 2
15 2 2 0 0 0 0 0 0 0 0 0 0 5.924600 -1.036400 1.415300 1XA 0 -0.57000 -0.57000 UNCH O1 3
41 2 1 0 0 0 0 0 0 0 0 0 0 4.173400 -2.052900 1.415300 1XA 0 0.06000 0.06000 UNCH H1 4
2 1 1 7 2 8 1 0 0 0 0 0 0 4.365500 1.274600 1.415300 1XA 0 0.57000 0.57000 UNCH C1A 5
2 1 1 9 2 10 1 0 0 0 0 0 0 2.490500 -0.192100 1.415300 1XA 0 0.57000 0.57000 UNCH C1B 6
15 5 2 0 0 0 0 0 0 0 0 0 0 3.712300 2.313700 1.415300 1XA 0 -0.57000 -0.57000 UNCH O1A 7
41 5 1 0 0 0 0 0 0 0 0 0 0 5.468300 1.305300 1.415300 1XA 0 0.06000 0.06000 UNCH H1A 8
15 6 2 0 0 0 0 0 0 0 0 0 0 1.917200 -1.277300 1.415300 1XA 0 -0.57000 -0.57000 UNCH O1B 9
41 6 1 0 0 0 0 0 0 0 0 0 0 1.912500 0.747600 1.415300 1XA 0 0.06000 0.06000 UNCH H1B 10
25 [FESMIZ,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 4 1 0 0 0 0 0 0 0 0 0 0 1.733100 7.580400 1.207900 1XA 0 -0.29000 -0.29000 UNCH CL1 1
57 4 1 0 0 0 0 0 0 0 0 0 0 1.626800 4.690700 0.928500 1XA 0 -0.29000 -0.29000 UNCH CL2 2
57 4 1 0 0 0 0 0 0 0 0 0 0 1.092900 5.927700 3.517800 1XA 0 -0.29000 -0.29000 UNCH CL3 3
3 1 1 2 1 3 1 5 1 0 0 0 0 2.110500 6.022400 2.038600 1XA 0 0.87000 0.87000 UNCH C1 4
3 4 1 15 1 16 1 17 1 0 0 0 0 3.626100 5.941900 2.370400 1XA 0 0.56000 0.56000 UNCH C2 5
2 7 1 13 2 14 1 0 0 0 0 0 0 5.762500 7.789400 4.399800 1XA 0 0.41380 0.41380 UNCH C3 6
2 6 1 8 2 12 1 0 0 0 0 0 0 7.199700 7.813500 4.819400 1XA 0 0.08620 0.08620 UNCH C4 7
2 7 2 9 1 18 1 0 0 0 0 0 0 8.178200 7.240700 3.997200 1XA 0 -0.15000 -0.15000 UNCH C5 8
2 8 1 10 2 19 1 0 0 0 0 0 0 9.520400 7.266800 4.381500 1XA 0 -0.15000 -0.15000 UNCH C6 9
2 9 2 11 1 20 1 0 0 0 0 0 0 9.889500 7.859600 5.588500 1XA 0 -0.15000 -0.15000 UNCH C7 10
2 10 1 12 2 21 1 0 0 0 0 0 0 8.918700 8.423900 6.415500 1XA 0 -0.15000 -0.15000 UNCH C8 11
2 7 1 11 2 22 1 0 0 0 0 0 0 7.575100 8.401200 6.034200 1XA 0 -0.15000 -0.15000 UNCH C9 12
25 6 2 16 1 0 0 0 0 0 0 0 0 5.390300 6.904000 3.518200 1XA 0 -0.51300 -0.51300 UNCH N1 13
25 6 1 23 1 24 1 0 0 0 0 0 0 4.891600 8.701300 4.950000 1XA 0 -0.85000 -0.85000 UNCH N2 14
16 5 1 25 1 0 0 0 0 0 0 0 0 3.998200 4.716800 3.012700 1XA 0 -0.68000 -0.68000 UNCH O1 15
16 5 1 13 1 0 0 0 0 0 0 0 0 4.014100 7.034300 3.221800 1XA 0 -0.21700 -0.21700 UNCH O2 16
41 5 1 0 0 0 0 0 0 0 0 0 0 4.206700 6.013900 1.441300 1XA 0 0.00000 0.00000 UNCH H1 17
41 8 1 0 0 0 0 0 0 0 0 0 0 7.904300 6.777400 3.052700 1XA 0 0.15000 0.15000 UNCH H2 18
41 9 1 0 0 0 0 0 0 0 0 0 0 10.277300 6.822700 3.739700 1XA 0 0.15000 0.15000 UNCH H3 19
41 10 1 0 0 0 0 0 0 0 0 0 0 10.934700 7.875700 5.888100 1XA 0 0.15000 0.15000 UNCH H4 20
41 11 1 0 0 0 0 0 0 0 0 0 0 9.207400 8.874300 7.362100 1XA 0 0.15000 0.15000 UNCH H5 21
41 12 1 0 0 0 0 0 0 0 0 0 0 6.829900 8.822100 6.703600 1XA 0 0.15000 0.15000 UNCH H6 22
43 14 1 0 0 0 0 0 0 0 0 0 0 4.009900 8.724500 4.446400 1XA 0 0.40000 0.40000 UNCH H7 23
43 14 1 0 0 0 0 0 0 0 0 0 0 5.268900 9.630500 5.098400 1XA 0 0.40000 0.40000 UNCH H8 24
42 15 1 0 0 0 0 0 0 0 0 0 0 4.861600 4.962000 3.404500 1XA 0 0.40000 0.40000 UNCH H9 25
23 [FETRUR,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
32 2 1 5 1 9 1 10 1 0 0 0 0 0.000000 0.000000 5.972500 1XA 0 -0.95900 -0.95900 FETR N1 1
3 1 1 3 1 6 1 11 1 0 0 0 0 0.691200 1.197400 5.467600 1XA 0 0.77300 0.77300 FETR C1 2
26 2 1 4 1 12 1 0 0 0 0 0 0 0.687100 1.190200 4.026500 1XA 0 -0.81000 -0.81000 FETR N2 3
3 3 1 7 1 8 1 13 1 0 0 0 0 1.371300 0.000100 3.537800 1XA 0 0.54000 0.54000 FETR C2 4
44 1 1 0 0 0 0 0 0 0 0 0 0 0.000000 0.000000 6.994400 1XA 0 0.45000 0.45000 FETR H1 5
41 2 1 0 0 0 0 0 0 0 0 0 0 1.709100 1.204200 5.879100 1XA 0 0.00000 0.00000 FETR H2 6
41 4 1 0 0 0 0 0 0 0 0 0 0 1.414300 0.000100 2.440200 1XA 0 0.00000 0.00000 FETR H3 7
41 4 1 0 0 0 0 0 0 0 0 0 0 2.422300 0.000200 3.857400 1XA 0 0.00000 0.00000 FETR H4 8
3 1 1 14 1 15 1 16 1 0 0 0 0 -1.382600 -0.000100 5.467600 1XA 0 0.77300 0.77300 FETR C1C 9
3 1 1 13 1 17 1 18 1 0 0 0 0 0.691400 -1.197300 5.467500 1XA 0 0.77300 0.77300 FETR C1D 10
41 2 1 0 0 0 0 0 0 0 0 0 0 0.188000 2.082300 5.879100 1XA 0 0.00000 0.00000 FETR H2L 11
3 3 1 14 1 19 1 20 1 0 0 0 0 -0.685800 1.187600 3.537800 1XA 0 0.54000 0.54000 FETR C2C 12
26 4 1 10 1 21 1 0 0 0 0 0 0 0.687200 -1.190100 4.026500 1XA 0 -0.81000 -0.81000 FETR N2D 13
26 9 1 12 1 21 1 0 0 0 0 0 0 -1.374300 -0.000100 4.026500 1XA 0 -0.81000 -0.81000 FETR N2C 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.897400 0.878100 5.879100 1XA 0 0.00000 0.00000 FETR H2C 15
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.897300 -0.878300 5.879100 1XA 0 0.00000 0.00000 FETR H2I 16
41 10 1 0 0 0 0 0 0 0 0 0 0 0.188300 -2.082200 5.879100 1XA 0 0.00000 0.00000 FETR H2D 17
41 10 1 0 0 0 0 0 0 0 0 0 0 1.709300 -1.203900 5.879100 1XA 0 0.00000 0.00000 FETR H2M 18
41 12 1 0 0 0 0 0 0 0 0 0 0 -0.707200 1.224800 2.440200 1XA 0 0.00000 0.00000 FETR H3C 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -1.211300 2.097700 3.857400 1XA 0 0.00000 0.00000 FETR H4C 20
3 13 1 14 1 22 1 23 1 0 0 0 0 -0.685600 -1.187600 3.537800 1XA 0 0.54000 0.54000 FETR C2D 21
41 21 1 0 0 0 0 0 0 0 0 0 0 -0.707100 -1.224800 2.440200 1XA 0 0.00000 0.00000 FETR H3D 22
41 21 1 0 0 0 0 0 0 0 0 0 0 -1.211000 -2.097800 3.857400 1XA 0 0.00000 0.00000 FETR H4D 23
30 [FETWOQ,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 2 1 5 1 7 1 18 1 0 0 0 0 2.796700 1.582200 3.647500 1XA 0 0.05300 0.05300 FETS C1 1
3 1 1 3 1 19 1 20 1 0 0 0 0 3.543700 1.444300 2.334800 1XA 0 0.00000 0.00000 FETS C2 2
3 2 1 4 1 14 1 21 1 0 0 0 0 4.402500 2.698600 2.257500 1XA 0 0.28000 0.28000 FETS C3 3
3 3 1 5 1 13 1 22 1 0 0 0 0 3.526900 3.793500 2.892100 1XA 0 0.28000 0.28000 FETS C4 4
3 1 1 4 1 6 1 23 1 0 0 0 0 2.662700 3.106600 3.952600 1XA 0 0.00000 0.00000 FETS C5 5
3 5 1 7 1 12 1 24 1 0 0 0 0 3.116300 2.855100 5.428300 1XA 0 0.27800 0.27800 FETS C6 6
2 1 1 6 1 15 2 0 0 0 0 0 0 3.635100 1.484900 4.948600 1XA 0 0.46400 0.46400 FETS C7 7
2 9 1 12 1 16 2 0 0 0 0 0 0 5.389100 3.909900 5.780100 1XA 0 0.56900 0.56900 FETS C8 8
3 8 1 10 1 25 1 26 1 0 0 0 0 5.998200 4.942700 6.678700 1XA 0 0.06100 0.06100 FETS C9 9
3 9 1 11 1 27 1 28 1 0 0 0 0 4.814900 5.580500 7.373300 1XA 0 0.06100 0.06100 FETS C10 10
2 10 1 12 1 17 2 0 0 0 0 0 0 3.645700 4.746000 6.950000 1XA 0 0.56900 0.56900 FETS C11 11
25 6 1 8 1 11 1 0 0 0 0 0 0 4.048600 3.825400 6.022300 1XA 0 -0.34500 -0.34500 FETS N1 12
16 4 1 29 1 0 0 0 0 0 0 0 0 2.647600 4.322500 1.892300 1XA 0 -0.68000 -0.68000 FETS O1 13
16 3 1 30 1 0 0 0 0 0 0 0 0 4.685900 3.034500 0.902000 1XA 0 -0.68000 -0.68000 FETS O2 14
15 7 2 0 0 0 0 0 0 0 0 0 0 4.374200 0.643600 5.412200 1XA 0 -0.57000 -0.57000 FETS O3 15
15 8 2 0 0 0 0 0 0 0 0 0 0 6.023300 3.271900 4.955000 1XA 0 -0.57000 -0.57000 FETS O4 16
15 11 2 0 0 0 0 0 0 0 0 0 0 2.508700 4.898000 7.371800 1XA 0 -0.57000 -0.57000 FETS O5 17
41 1 1 0 0 0 0 0 0 0 0 0 0 1.866900 1.007200 3.709800 1XA 0 0.00000 0.00000 FETS H1 18
41 2 1 0 0 0 0 0 0 0 0 0 0 4.150300 0.534000 2.290700 1XA 0 0.00000 0.00000 FETS H2 19
41 2 1 0 0 0 0 0 0 0 0 0 0 2.841200 1.403100 1.493500 1XA 0 0.00000 0.00000 FETS H3 20
41 3 1 0 0 0 0 0 0 0 0 0 0 5.339200 2.560300 2.800100 1XA 0 0.00000 0.00000 FETS H4 21
41 4 1 0 0 0 0 0 0 0 0 0 0 4.114800 4.629800 3.278200 1XA 0 0.00000 0.00000 FETS H5 22
41 5 1 0 0 0 0 0 0 0 0 0 0 1.628000 3.474900 3.923300 1XA 0 0.00000 0.00000 FETS H6 23
41 6 1 0 0 0 0 0 0 0 0 0 0 2.255800 2.693300 6.095100 1XA 0 0.00000 0.00000 FETS H7 24
41 9 1 0 0 0 0 0 0 0 0 0 0 6.667400 4.454300 7.393300 1XA 0 0.00000 0.00000 FETS H8 25
41 9 1 0 0 0 0 0 0 0 0 0 0 6.559300 5.674600 6.091100 1XA 0 0.00000 0.00000 FETS H9 26
41 10 1 0 0 0 0 0 0 0 0 0 0 4.926300 5.556200 8.460700 1XA 0 0.00000 0.00000 FETS H10 27
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43 4 1 0 0 0 0 0 0 0 0 0 0 1.831700 0.271100 -0.829000 1XA 0 0.36000 0.36000 UNCH H7 11
32 [FIHXID,32,32,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
58 19 1 0 0 0 0 0 0 0 0 0 0 2.228200 9.883200 11.410500 1XA 0 -0.11000 -0.11000 UNCH BR1 1
16 9 1 14 1 0 0 0 0 0 0 0 0 2.985600 11.360700 6.751000 1XA 0 -0.56000 -0.56000 UNCH O1 2
15 10 2 0 0 0 0 0 0 0 0 0 0 -0.208200 9.155300 5.273300 1XA 0 -0.57000 -0.57000 UNCH O2 3
16 12 1 31 1 0 0 0 0 0 0 0 0 1.506100 13.381000 4.768900 1XA 0 -0.68000 -0.68000 UNCH O3 4
15 13 2 0 0 0 0 0 0 0 0 0 0 0.400500 6.017000 8.460200 1XA 0 -0.57000 -0.57000 UNCH O4 5
16 16 1 32 1 0 0 0 0 0 0 0 0 2.317200 13.013100 9.009700 1XA 0 -0.68000 -0.68000 UNCH O5 6
25 9 1 10 1 17 1 0 0 0 0 0 0 1.415700 9.553300 6.871900 1XA 0 -0.46910 -0.46910 UNCH N1 7
25 10 1 13 1 26 1 0 0 0 0 0 0 0.091800 7.632900 6.904500 1XA 0 -0.49000 -0.49000 UNCH N2 8
3 2 1 7 1 11 1 23 1 0 0 0 0 1.753000 10.824400 6.237300 1XA 0 0.58010 0.58010 UNCH C1 9
2 3 2 7 1 8 1 0 0 0 0 0 0 0.400500 8.812100 6.284300 1XA 0 0.69000 0.69000 UNCH C2 10
3 9 1 12 1 24 1 25 1 0 0 0 0 0.708100 11.906200 6.473800 1XA 0 0.00000 0.00000 UNCH C3 11
3 4 1 11 1 14 1 27 1 0 0 0 0 1.498900 13.157800 6.182600 1XA 0 0.28000 0.28000 UNCH C4 12
2 5 2 8 1 15 1 0 0 0 0 0 0 0.700200 7.120800 8.013900 1XA 0 0.61560 0.61560 UNCH C5 13
3 2 1 12 1 16 1 28 1 0 0 0 0 2.914700 12.805200 6.649300 1XA 0 0.28000 0.28000 UNCH C6 14
2 13 1 17 2 18 1 0 0 0 0 0 0 1.750000 7.973700 8.643800 1XA 0 0.01440 0.01440 UNCH C7 15
3 6 1 14 1 29 1 30 1 0 0 0 0 3.263600 13.398500 8.015700 1XA 0 0.28000 0.28000 UNCH C8 16
2 7 1 15 2 20 1 0 0 0 0 0 0 2.059800 9.117100 8.015200 1XA 0 -0.04100 -0.04100 UNCH C9 17
2 15 1 19 2 21 1 0 0 0 0 0 0 2.432900 7.486100 9.828700 1XA 0 -0.15000 -0.15000 UNCH C10 18
2 1 1 18 2 22 1 0 0 0 0 0 0 2.685100 8.140800 10.969800 1XA 0 -0.04000 -0.04000 UNCH C11 19
41 17 1 0 0 0 0 0 0 0 0 0 0 2.858000 9.749400 8.390800 1XA 0 0.15000 0.15000 UNCH H1 20
41 18 1 0 0 0 0 0 0 0 0 0 0 2.723700 6.436400 9.774100 1XA 0 0.15000 0.15000 UNCH H2 21
41 19 1 0 0 0 0 0 0 0 0 0 0 3.187500 7.635700 11.788900 1XA 0 0.15000 0.15000 UNCH H3 22
41 9 1 0 0 0 0 0 0 0 0 0 0 1.892500 10.649600 5.162200 1XA 0 0.00000 0.00000 UNCH H4 23
41 11 1 0 0 0 0 0 0 0 0 0 0 0.379800 11.900300 7.519600 1XA 0 0.00000 0.00000 UNCH H5 24
41 11 1 0 0 0 0 0 0 0 0 0 0 -0.170900 11.780400 5.834900 1XA 0 0.00000 0.00000 UNCH H6 25
43 8 1 0 0 0 0 0 0 0 0 0 0 -0.622800 7.068400 6.473000 1XA 0 0.37000 0.37000 UNCH H7 26
41 12 1 0 0 0 0 0 0 0 0 0 0 1.092800 14.056900 6.655100 1XA 0 0.00000 0.00000 UNCH H8 27
41 14 1 0 0 0 0 0 0 0 0 0 0 3.667800 13.118600 5.917500 1XA 0 0.00000 0.00000 UNCH H9 28
41 16 1 0 0 0 0 0 0 0 0 0 0 4.249500 13.055900 8.346900 1XA 0 0.00000 0.00000 UNCH H10 29
41 16 1 0 0 0 0 0 0 0 0 0 0 3.274200 14.491600 7.967600 1XA 0 0.00000 0.00000 UNCH H11 30
42 4 1 0 0 0 0 0 0 0 0 0 0 0.594300 13.594200 4.499600 1XA 0 0.40000 0.40000 UNCH H12 31
42 6 1 0 0 0 0 0 0 0 0 0 0 2.435300 12.054900 9.144000 1XA 0 0.40000 0.40000 UNCH H13 32
23 [FIKJAK,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 6 1 12 1 0 0 0 0 0 0 9.648200 -0.121100 -4.297900 1XA 0 -0.03820 -0.03820 UNCH C1 1
2 1 2 3 1 7 1 0 0 0 0 0 0 10.960400 0.161100 -4.505900 1XA 0 -0.07320 -0.07320 UNCH C2 2
3 2 1 4 1 20 1 21 1 0 0 0 0 11.444600 1.372500 -5.270500 1XA 0 0.13820 0.13820 UNCH C3 3
3 3 1 5 1 8 1 9 1 0 0 0 0 10.403600 1.979100 -6.226800 1XA 0 0.40000 0.40000 UNCH C4 4
3 4 1 6 1 22 1 23 1 0 0 0 0 9.067900 2.137800 -5.475800 1XA 0 0.00000 0.00000 UNCH C5 5
3 1 1 5 1 10 1 11 1 0 0 0 0 8.527300 0.836300 -4.815300 1XA 0 0.53820 0.53820 UNCH C6 6
1 2 1 13 3 0 0 0 0 0 0 0 0 11.986700 -0.706400 -4.007300 1XA 0 0.49210 0.49210 UNCH C7 7
1 4 1 14 3 0 0 0 0 0 0 0 0 10.875900 3.318600 -6.638300 1XA 0 0.35710 0.35710 UNCH C8 8
1 4 1 15 3 0 0 0 0 0 0 0 0 10.260800 1.125400 -7.420000 1XA 0 0.35710 0.35710 UNCH C9 9
1 6 1 16 3 0 0 0 0 0 0 0 0 7.675100 0.111300 -5.788300 1XA 0 0.35710 0.35710 UNCH C10 10
1 6 1 17 3 0 0 0 0 0 0 0 0 7.700600 1.252700 -3.652800 1XA 0 0.35710 0.35710 UNCH C11 11
25 1 1 18 1 19 1 0 0 0 0 0 0 9.238300 -1.274400 -3.630700 1XA 0 -0.90000 -0.90000 UNCH N1 12
24 7 3 0 0 0 0 0 0 0 0 0 0 12.818000 -1.394100 -3.584800 1XA 0 -0.55710 -0.55710 UNCH N2 13
24 8 3 0 0 0 0 0 0 0 0 0 0 11.242700 4.383300 -6.915100 1XA 0 -0.55710 -0.55710 UNCH N3 14
24 9 3 0 0 0 0 0 0 0 0 0 0 10.154000 0.424100 -8.336100 1XA 0 -0.55710 -0.55710 UNCH N4 15
24 10 3 0 0 0 0 0 0 0 0 0 0 6.989900 -0.410200 -6.566300 1XA 0 -0.55710 -0.55710 UNCH N5 16
24 11 3 0 0 0 0 0 0 0 0 0 0 7.083300 1.597800 -2.732100 1XA 0 -0.55710 -0.55710 UNCH N6 17
43 12 1 0 0 0 0 0 0 0 0 0 0 9.940200 -1.807700 -3.112300 1XA 0 0.40000 0.40000 UNCH H1 18
43 12 1 0 0 0 0 0 0 0 0 0 0 8.336100 -1.270200 -3.150700 1XA 0 0.40000 0.40000 UNCH H2 19
41 3 1 0 0 0 0 0 0 0 0 0 0 11.761000 2.120300 -4.528100 1XA 0 0.00000 0.00000 UNCH H3 20
41 3 1 0 0 0 0 0 0 0 0 0 0 12.350600 1.110100 -5.837400 1XA 0 0.00000 0.00000 UNCH H4 21
41 5 1 0 0 0 0 0 0 0 0 0 0 8.305200 2.570100 -6.142700 1XA 0 0.00000 0.00000 UNCH H5 22
41 5 1 0 0 0 0 0 0 0 0 0 0 9.217800 2.898900 -4.692100 1XA 0 0.00000 0.00000 UNCH H6 23
19 [FIKZOO10,19,19,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 6 1 7 1 0 0 0 0 0 0 0.943500 3.460000 -0.487400 1XA 0 0.02840 0.02840 FIKJ C1 1
2 1 2 3 1 13 1 0 0 0 0 0 0 -0.138700 2.567900 -0.507400 1XA 0 -0.15000 -0.15000 FIKJ C2 2
2 2 1 4 2 14 1 0 0 0 0 0 0 -1.316900 2.892600 -1.184500 1XA 0 -0.15000 -0.15000 FIKJ C3 3
2 3 2 5 1 15 1 0 0 0 0 0 0 -1.424900 4.110600 -1.851900 1XA 0 -0.15000 -0.15000 FIKJ C4 4
2 4 1 6 2 16 1 0 0 0 0 0 0 -0.356800 5.005000 -1.842900 1XA 0 -0.15000 -0.15000 FIKJ C5 5
2 1 1 5 2 17 1 0 0 0 0 0 0 0.821400 4.681800 -1.164800 1XA 0 -0.15000 -0.15000 FIKJ C6 6
2 1 1 8 2 10 1 0 0 0 0 0 0 2.180700 3.110400 0.215200 1XA 0 0.08060 0.08060 FIKJ C7 7
2 7 2 11 1 18 1 0 0 0 0 0 0 2.871400 3.912100 1.039200 1XA 0 -0.04900 -0.04900 FIKJ C8 8
2 10 1 11 1 12 2 0 0 0 0 0 0 3.903900 1.643300 0.784700 1XA 0 0.58100 0.58100 FIKJ C9 9
25 7 1 9 1 19 1 0 0 0 0 0 0 2.744000 1.864200 0.079800 1XA 0 -0.53900 -0.53900 FIKJ N1 10
49 8 1 9 1 0 0 0 0 0 0 0 0 4.281900 3.114000 1.680000 1XA 0 -0.24200 -0.24200 FIKJ S1 11
49 9 2 0 0 0 0 0 0 0 0 0 0 4.761300 0.230200 0.762900 1XA 0 -0.38000 -0.38000 FIKJ S2 12
41 2 1 0 0 0 0 0 0 0 0 0 0 -0.082400 1.617700 0.019200 1XA 0 0.15000 0.15000 FIKJ H1 13
41 3 1 0 0 0 0 0 0 0 0 0 0 -2.151400 2.195800 -1.187700 1XA 0 0.15000 0.15000 FIKJ H2 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -2.341600 4.363100 -2.379000 1XA 0 0.15000 0.15000 FIKJ H3 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -0.438800 5.954100 -2.366800 1XA 0 0.15000 0.15000 FIKJ H4 16
41 6 1 0 0 0 0 0 0 0 0 0 0 1.646700 5.390400 -1.183500 1XA 0 0.15000 0.15000 FIKJ H5 17
41 8 1 0 0 0 0 0 0 0 0 0 0 2.612200 4.927300 1.306100 1XA 0 0.15000 0.15000 FIKJ H6 18
43 10 1 0 0 0 0 0 0 0 0 0 0 2.357800 1.152800 -0.526300 1XA 0 0.37000 0.37000 FIKJ H7 19
25 [FILGEM,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 5 1 8 1 0 0 0 0 0 0 -0.213600 1.243200 13.279900 1XA 0 -0.02840 -0.02840 UNCH C1 1
2 1 2 6 1 13 1 0 0 0 0 0 0 1.101800 1.545500 13.378900 1XA 0 -0.02920 -0.02920 UNCH C2 2
2 4 1 13 1 16 2 0 0 0 0 0 0 1.598000 -0.606700 14.437000 1XA 0 0.61560 0.61560 UNCH C3 3
2 3 1 5 2 7 1 0 0 0 0 0 0 0.155700 -0.947000 14.332500 1XA 0 0.07940 0.07940 UNCH C4 4
2 1 1 4 2 18 1 0 0 0 0 0 0 -0.675700 -0.047900 13.778900 1XA 0 -0.15000 -0.15000 UNCH C5 5
3 2 1 19 1 20 1 21 1 0 0 0 0 1.761000 2.820600 12.922400 1XA 0 0.13820 0.13820 UNCH C6 6
1 4 1 14 3 0 0 0 0 0 0 0 0 -0.308600 -2.197900 14.812900 1XA 0 0.49210 0.49210 UNCH C7 7
2 1 1 9 2 12 1 0 0 0 0 0 0 -1.169100 2.193500 12.681000 1XA 0 0.02840 0.02840 UNCH C8 8
2 8 2 10 1 22 1 0 0 0 0 0 0 -1.442100 2.151800 11.313000 1XA 0 -0.15000 -0.15000 UNCH C9 9
2 9 1 15 2 23 1 0 0 0 0 0 0 -2.356000 3.056900 10.801100 1XA 0 0.16000 0.16000 UNCH C10 10
2 12 2 15 1 24 1 0 0 0 0 0 0 -2.726200 3.989900 12.872300 1XA 0 0.16000 0.16000 UNCH C11 11
2 8 1 11 2 25 1 0 0 0 0 0 0 -1.829600 3.127900 13.480100 1XA 0 -0.15000 -0.15000 UNCH C12 12
25 2 1 3 1 17 1 0 0 0 0 0 0 1.962500 0.625400 13.947200 1XA 0 -0.53900 -0.53900 UNCH N1 13
24 7 3 0 0 0 0 0 0 0 0 0 0 -0.749100 -3.204600 15.187600 1XA 0 -0.55710 -0.55710 UNCH N2 14
25 10 2 11 1 0 0 0 0 0 0 0 0 -3.001500 3.975600 11.550700 1XA 0 -0.62000 -0.62000 UNCH N3 15
15 3 2 0 0 0 0 0 0 0 0 0 0 2.425900 -1.366100 14.927100 1XA 0 -0.57000 -0.57000 UNCH O1 16
43 13 1 0 0 0 0 0 0 0 0 0 0 2.950600 0.840700 14.026900 1XA 0 0.37000 0.37000 UNCH H1 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -1.738700 -0.262400 13.685500 1XA 0 0.15000 0.15000 UNCH H2 18
41 6 1 0 0 0 0 0 0 0 0 0 0 2.528900 2.598900 12.173100 1XA 0 0.00000 0.00000 UNCH H3 19
41 6 1 0 0 0 0 0 0 0 0 0 0 1.067500 3.537400 12.475600 1XA 0 0.00000 0.00000 UNCH H4 20
41 6 1 0 0 0 0 0 0 0 0 0 0 2.243300 3.318500 13.770700 1XA 0 0.00000 0.00000 UNCH H5 21
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.957600 1.436300 10.657400 1XA 0 0.15000 0.15000 UNCH H6 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -2.601900 3.067700 9.742900 1XA 0 0.15000 0.15000 UNCH H7 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -3.264500 4.737100 13.448900 1XA 0 0.15000 0.15000 UNCH H8 24
41 12 1 0 0 0 0 0 0 0 0 0 0 -1.653200 3.189000 14.548600 1XA 0 0.15000 0.15000 UNCH H9 25
24 [FILNOD,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 2 2 4 1 11 1 0 0 0 0 0 0 8.431200 6.681800 1.445000 1XA 0 0.49800 0.49800 UNCH S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 9.165500 5.773300 0.505700 1XA 0 -0.50000 -0.50000 UNCH O1 2
16 4 1 14 1 0 0 0 0 0 0 0 0 10.188300 6.146400 3.219200 1XA 0 -0.30000 -0.30000 UNCH O2 3
25 1 1 3 1 5 1 0 0 0 0 0 0 9.362900 7.237300 2.730900 1XA 0 -0.43200 -0.43200 UNCH N1 4
3 4 1 6 1 12 1 13 1 0 0 0 0 10.209400 8.429400 2.460400 1XA 0 0.41350 0.41350 UNCH C1 5
2 5 1 7 2 11 1 0 0 0 0 0 0 9.477800 9.150200 1.347100 1XA 0 -0.14350 -0.14350 UNCH C2 6
2 6 2 8 1 15 1 0 0 0 0 0 0 9.665700 10.454400 0.898100 1XA 0 -0.15000 -0.15000 UNCH C3 7
2 7 1 9 2 16 1 0 0 0 0 0 0 8.917500 10.908300 -0.191400 1XA 0 -0.15000 -0.15000 UNCH C4 8
2 8 2 10 1 17 1 0 0 0 0 0 0 7.999900 10.062600 -0.829400 1XA 0 -0.15000 -0.15000 UNCH C5 9
2 9 1 11 2 18 1 0 0 0 0 0 0 7.815300 8.754000 -0.380500 1XA 0 -0.15000 -0.15000 UNCH C6 10
2 1 1 6 1 10 2 0 0 0 0 0 0 8.554100 8.315000 0.709900 1XA 0 0.06400 0.06400 UNCH C7 11
3 5 1 19 1 20 1 21 1 0 0 0 0 10.288500 9.259300 3.747100 1XA 0 0.00000 0.00000 UNCH C8 12
3 5 1 22 1 23 1 24 1 0 0 0 0 11.629700 8.087500 1.964000 1XA 0 0.00000 0.00000 UNCH C9 13
42 3 1 0 0 0 0 0 0 0 0 0 0 9.693700 5.869600 4.010900 1XA 0 0.40000 0.40000 UNCH H1 14
41 7 1 0 0 0 0 0 0 0 0 0 0 10.389500 11.112600 1.369200 1XA 0 0.15000 0.15000 UNCH H2 15
41 8 1 0 0 0 0 0 0 0 0 0 0 9.056400 11.923500 -0.556600 1XA 0 0.15000 0.15000 UNCH H3 16
41 9 1 0 0 0 0 0 0 0 0 0 0 7.433300 10.426800 -1.683300 1XA 0 0.15000 0.15000 UNCH H4 17
41 10 1 0 0 0 0 0 0 0 0 0 0 7.112000 8.093600 -0.878200 1XA 0 0.15000 0.15000 UNCH H5 18
41 12 1 0 0 0 0 0 0 0 0 0 0 9.293500 9.572800 4.086100 1XA 0 0.00000 0.00000 UNCH H6 19
41 12 1 0 0 0 0 0 0 0 0 0 0 10.882400 10.169200 3.603100 1XA 0 0.00000 0.00000 UNCH H7 20
41 12 1 0 0 0 0 0 0 0 0 0 0 10.754900 8.689900 4.559600 1XA 0 0.00000 0.00000 UNCH H8 21
41 13 1 0 0 0 0 0 0 0 0 0 0 11.609100 7.448900 1.072800 1XA 0 0.00000 0.00000 UNCH H9 22
41 13 1 0 0 0 0 0 0 0 0 0 0 12.183900 8.995300 1.695800 1XA 0 0.00000 0.00000 UNCH H10 23
41 13 1 0 0 0 0 0 0 0 0 0 0 12.214200 7.571400 2.734100 1XA 0 0.00000 0.00000 UNCH H11 24
23 [FINBIN,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 18 1 0 0 0 0 0 0 0 0 0 0 -3.150000 12.597700 4.042700 1XA 0 -0.29000 -0.29000 UNCH CL1 1
57 18 1 0 0 0 0 0 0 0 0 0 0 -2.897800 10.691100 1.851700 1XA 0 -0.29000 -0.29000 UNCH CL2 2
57 18 1 0 0 0 0 0 0 0 0 0 0 -5.331800 10.796500 3.430800 1XA 0 -0.29000 -0.29000 UNCH CL3 3
57 19 1 0 0 0 0 0 0 0 0 0 0 1.391800 9.615000 2.375100 1XA 0 -0.29000 -0.29000 UNCH CL4 4
57 19 1 0 0 0 0 0 0 0 0 0 0 1.802800 7.803200 4.621800 1XA 0 -0.29000 -0.29000 UNCH CL5 5
57 19 1 0 0 0 0 0 0 0 0 0 0 0.829200 6.790800 2.080900 1XA 0 -0.29000 -0.29000 UNCH CL6 6
57 20 1 0 0 0 0 0 0 0 0 0 0 -2.473100 10.691800 8.010300 1XA 0 -0.29000 -0.29000 UNCH CL7 7
57 20 1 0 0 0 0 0 0 0 0 0 0 0.432500 10.474600 7.911000 1XA 0 -0.29000 -0.29000 UNCH CL8 8
57 20 1 0 0 0 0 0 0 0 0 0 0 -1.138200 8.362400 9.115500 1XA 0 -0.29000 -0.29000 UNCH CL9 9
53 12 1 13 1 14 1 0 0 0 0 0 0 -2.776300 7.251000 4.937700 1XA 0 0.30300 0.30300 UNCH P1 10
53 15 1 16 1 17 1 0 0 0 0 0 0 -1.047700 9.949900 4.818200 1XA 0 -0.50070 -0.50070 UNCH P2 11
16 10 1 15 1 0 0 0 0 0 0 0 0 -3.417100 8.533300 4.180400 1XA 0 -0.38100 -0.38100 UNCH O1 12
16 10 1 16 1 0 0 0 0 0 0 0 0 -1.329400 7.197400 4.208200 1XA 0 -0.38100 -0.38100 UNCH O2 13
16 10 1 17 1 0 0 0 0 0 0 0 0 -2.350400 7.945700 6.339300 1XA 0 -0.38100 -0.38100 UNCH O3 14
3 11 1 12 1 18 1 21 1 0 0 0 0 -2.974900 9.862200 4.530600 1XA 0 0.44690 0.44690 UNCH C1 15
3 11 1 13 1 19 1 22 1 0 0 0 0 -0.762400 8.406600 3.660000 1XA 0 0.44690 0.44690 UNCH C2 16
3 11 1 14 1 20 1 23 1 0 0 0 0 -1.187200 8.799500 6.387100 1XA 0 0.44690 0.44690 UNCH C3 17
3 1 1 2 1 3 1 15 1 0 0 0 0 -3.532200 10.918400 3.515200 1XA 0 0.87000 0.87000 UNCH C4 18
3 4 1 5 1 6 1 16 1 0 0 0 0 0.728400 8.177100 3.233500 1XA 0 0.87000 0.87000 UNCH C5 19
3 7 1 8 1 9 1 17 1 0 0 0 0 -1.108100 9.553800 7.758900 1XA 0 0.87000 0.87000 UNCH C6 20
41 15 1 0 0 0 0 0 0 0 0 0 0 -3.432300 10.107200 5.495900 1XA 0 0.00000 0.00000 UNCH H1 21
41 16 1 0 0 0 0 0 0 0 0 0 0 -1.306800 8.623600 2.733900 1XA 0 0.00000 0.00000 UNCH H2 22
41 17 1 0 0 0 0 0 0 0 0 0 0 -0.308800 8.144800 6.356400 1XA 0 0.00000 0.00000 UNCH H3 23
22 [FINPEX,22,22,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 9 1 22 1 0 0 0 0 0 0 0 0 -1.719000 3.628200 8.807800 1XA 0 -0.65000 -0.65000 CHGB O1 1
15 9 2 0 0 0 0 0 0 0 0 0 0 -1.098500 3.019600 6.752700 1XA 0 -0.57000 -0.57000 CHGB O2 2
16 10 1 18 1 0 0 0 0 0 0 0 0 -0.684500 -1.761100 8.844900 1XA 0 -0.68000 -0.68000 CHGB O3 3
32 5 1 19 1 20 1 21 1 0 0 0 0 -0.322600 0.457600 7.617400 1XA 0 -0.82200 -0.82200 CHGB N1 4
3 4 1 6 1 8 1 9 1 0 0 0 0 -1.292300 1.217100 8.463600 1XA 0 0.52500 0.52500 CHGB C1 5
3 5 1 7 1 11 1 12 1 0 0 0 0 -2.635900 0.455500 8.617200 1XA 0 0.00000 0.00000 CHGB C2 6
3 6 1 8 1 10 1 13 1 0 0 0 0 -2.116600 -0.144800 9.948000 1XA 0 0.00000 0.00000 CHGB C3 7
3 5 1 7 1 14 1 15 1 0 0 0 0 -1.042100 0.972700 9.974900 1XA 0 0.00000 0.00000 CHGB C4 8
2 1 1 2 2 5 1 0 0 0 0 0 0 -1.364500 2.689100 7.904500 1XA 0 0.66700 0.66700 CHGB C5 9
3 3 1 7 1 16 1 17 1 0 0 0 0 -1.624600 -1.589300 9.913700 1XA 0 0.28000 0.28000 CHGB C6 10
41 6 1 0 0 0 0 0 0 0 0 0 0 -3.502200 1.115400 8.750000 1XA 0 0.00000 0.00000 CHGB H1 11
41 6 1 0 0 0 0 0 0 0 0 0 0 -2.879700 -0.264500 7.829600 1XA 0 0.00000 0.00000 CHGB H2 12
41 7 1 0 0 0 0 0 0 0 0 0 0 -2.844700 -0.040400 10.763600 1XA 0 0.00000 0.00000 CHGB H3 13
41 8 1 0 0 0 0 0 0 0 0 0 0 -1.317200 1.813600 10.622300 1XA 0 0.00000 0.00000 CHGB H4 14
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.032000 0.654900 10.253100 1XA 0 0.00000 0.00000 CHGB H5 15
41 10 1 0 0 0 0 0 0 0 0 0 0 -1.129700 -1.849500 10.854600 1XA 0 0.00000 0.00000 CHGB H6 16
41 10 1 0 0 0 0 0 0 0 0 0 0 -2.461200 -2.275800 9.750200 1XA 0 0.00000 0.00000 CHGB H7 17
42 3 1 0 0 0 0 0 0 0 0 0 0 -0.429400 -2.709800 8.894900 1XA 0 0.40000 0.40000 CHGB H8 18
44 4 1 0 0 0 0 0 0 0 0 0 0 0.635100 0.814400 7.705400 1XA 0 0.45000 0.45000 CHGB H9 19
44 4 1 0 0 0 0 0 0 0 0 0 0 -0.574500 0.510500 6.621100 1XA 0 0.45000 0.45000 CHGB H10 20
44 4 1 0 0 0 0 0 0 0 0 0 0 -0.309500 -0.546000 7.896600 1XA 0 0.45000 0.45000 CHGB H11 21
42 1 1 0 0 0 0 0 0 0 0 0 0 -1.727900 4.489500 8.330200 1XA 0 0.50000 0.50000 CHGB H12 22
28 [FITGIY,28,28,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 2 12 1 0 0 0 0 0 0 0 0 -0.220500 -0.306400 2.255000 1XA 0 -0.69600 -0.69600 UNCH N1 1
2 1 2 3 1 4 1 0 0 0 0 0 0 -0.442500 -1.592400 2.228600 1XA 0 0.37460 0.37460 UNCH C1 2
3 2 1 15 1 16 1 17 1 0 0 0 0 -1.849600 -2.111900 2.195400 1XA 0 0.06100 0.06100 UNCH C2 3
2 2 1 5 1 10 2 0 0 0 0 0 0 0.722500 -2.484800 2.252500 1XA 0 0.02880 0.02880 UNCH C3 4
2 4 1 6 2 7 1 0 0 0 0 0 0 0.819000 -3.944400 2.274000 1XA 0 0.70560 0.70560 UNCH C4 5
15 5 2 0 0 0 0 0 0 0 0 0 0 1.830500 -4.558400 2.585700 1XA 0 -0.57000 -0.57000 UNCH O1 6
16 5 1 8 1 0 0 0 0 0 0 0 0 -0.353200 -4.508200 1.896700 1XA 0 -0.43000 -0.43000 UNCH O2 7
3 7 1 9 1 18 1 19 1 0 0 0 0 -0.342200 -5.941500 1.876500 1XA 0 0.28000 0.28000 UNCH C5 8
3 8 1 20 1 21 1 22 1 0 0 0 0 -1.716100 -6.416300 1.445800 1XA 0 0.00000 0.00000 UNCH C6 9
2 4 2 11 1 12 1 0 0 0 0 0 0 1.751900 -1.630100 2.296200 1XA 0 -0.03820 -0.03820 UNCH C7 10
25 10 1 23 1 24 1 0 0 0 0 0 0 3.108500 -1.899700 2.388300 1XA 0 -0.90000 -0.90000 UNCH N2 11
3 1 1 10 1 13 1 14 1 0 0 0 0 1.244800 -0.201600 2.284100 1XA 0 0.66420 0.66420 UNCH C8 12
3 12 1 25 1 26 1 27 1 0 0 0 0 1.704300 0.582500 1.058400 1XA 0 0.00000 0.00000 UNCH C9 13
16 12 1 28 1 0 0 0 0 0 0 0 0 1.725800 0.446200 3.447100 1XA 0 -0.68000 -0.68000 UNCH O3 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -2.009600 -2.819200 3.013400 1XA 0 0.00000 0.00000 UNCH H1 15
41 3 1 0 0 0 0 0 0 0 0 0 0 -2.557800 -1.286000 2.312200 1XA 0 0.00000 0.00000 UNCH H2 16
41 3 1 0 0 0 0 0 0 0 0 0 0 -2.041300 -2.598700 1.235500 1XA 0 0.00000 0.00000 UNCH H3 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.115400 -6.323900 2.878000 1XA 0 0.00000 0.00000 UNCH H4 18
41 8 1 0 0 0 0 0 0 0 0 0 0 0.412500 -6.295200 1.165200 1XA 0 0.00000 0.00000 UNCH H5 19
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.966200 -6.023700 0.454600 1XA 0 0.00000 0.00000 UNCH H6 20
41 9 1 0 0 0 0 0 0 0 0 0 0 -2.483900 -6.050500 2.135600 1XA 0 0.00000 0.00000 UNCH H7 21
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.759800 -7.508500 1.414800 1XA 0 0.00000 0.00000 UNCH H8 22
43 11 1 0 0 0 0 0 0 0 0 0 0 3.299200 -2.850300 2.716800 1XA 0 0.40000 0.40000 UNCH H9 23
43 11 1 0 0 0 0 0 0 0 0 0 0 3.578200 -1.197100 2.964300 1XA 0 0.40000 0.40000 UNCH H10 24
41 13 1 0 0 0 0 0 0 0 0 0 0 2.794400 0.694600 1.042900 1XA 0 0.00000 0.00000 UNCH H11 25
41 13 1 0 0 0 0 0 0 0 0 0 0 1.286100 1.595900 1.073600 1XA 0 0.00000 0.00000 UNCH H12 26
41 13 1 0 0 0 0 0 0 0 0 0 0 1.389600 0.103400 0.124700 1XA 0 0.00000 0.00000 UNCH H13 27
42 14 1 0 0 0 0 0 0 0 0 0 0 0.960800 0.980600 3.721000 1XA 0 0.40000 0.40000 UNCH H14 28
12 [FITSEG,12,12,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
3 2 1 4 1 7 1 9 1 0 0 0 0 5.848900 2.233500 3.964800 1XA 0 0.00500 0.00500 UNCH C1 1
1 1 1 3 3 0 0 0 0 0 0 0 0 6.448300 2.233500 2.664100 1XA 0 0.45210 0.45210 UNCH C2 2
24 2 3 0 0 0 0 0 0 0 0 0 0 6.901100 2.233500 1.597900 1XA 0 -0.55710 -0.55710 UNCH N1 3
3 1 1 5 1 8 1 9 1 0 0 0 0 4.553200 1.478700 4.160300 1XA 0 0.00500 0.00500 UNCH C3 4
1 4 1 6 3 0 0 0 0 0 0 0 0 4.383100 0.731800 5.372100 1XA 0 0.45210 0.45210 UNCH C4 5
24 5 3 0 0 0 0 0 0 0 0 0 0 4.260900 0.119900 6.347800 1XA 0 -0.55710 -0.55710 UNCH N2 6
41 1 1 0 0 0 0 0 0 0 0 0 0 6.559700 2.233500 4.787100 1XA 0 0.10000 0.10000 UNCH H1 7
41 4 1 0 0 0 0 0 0 0 0 0 0 4.113200 1.003900 3.287400 1XA 0 0.10000 0.10000 UNCH H2 8
3 1 1 4 1 10 1 11 1 0 0 0 0 4.553200 2.988300 4.160300 1XA 0 0.00500 0.00500 UNCH C3B 9
1 9 1 12 3 0 0 0 0 0 0 0 0 4.383100 3.735200 5.372100 1XA 0 0.45210 0.45210 UNCH C4B 10
41 9 1 0 0 0 0 0 0 0 0 0 0 4.113200 3.463100 3.287400 1XA 0 0.10000 0.10000 UNCH H2B 11
24 10 3 0 0 0 0 0 0 0 0 0 0 4.260900 4.347100 6.347800 1XA 0 -0.55710 -0.55710 UNCH N2B 12
19 [FITTIL,19,19,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 6 2 2 1 0 0 0 0 0 0 0 0 3.431200 2.018300 0.082900 1XA 0 -0.62000 -0.62000 FITT N1 1
2 1 1 12 1 3 2 0 0 0 0 0 0 2.925200 1.170800 -0.837900 1XA 0 0.52100 0.52100 FITT C1 2
31 2 2 11 1 4 1 0 0 0 0 0 0 2.039000 0.203000 -0.603400 1XA 0 -0.15600 -0.15600 FITT N2 3
2 3 1 9 1 5 2 0 0 0 0 0 0 1.623600 0.071300 0.701300 1XA 0 0.53420 0.53420 FITT C2 4
2 4 2 7 1 6 1 0 0 0 0 0 0 2.124900 0.921500 1.669900 1XA 0 -0.15160 -0.15160 FITT C3 5
2 1 2 5 1 10 1 0 0 0 0 0 0 3.040000 1.912600 1.366900 1XA 0 0.41000 0.41000 FITT C4 6
25 5 1 13 1 8 1 0 0 0 0 0 0 1.526700 0.496100 2.829600 1XA 0 0.03320 0.03320 FITT N3 7
2 7 1 16 1 9 2 0 0 0 0 0 0 0.702300 -0.551500 2.510100 1XA 0 0.03650 0.03650 FITT C5 8
25 4 1 8 2 0 0 0 0 0 0 0 0 0.740100 -0.828300 1.223600 1XA 0 -0.56530 -0.56530 FITT N4 9
25 6 1 15 1 14 1 0 0 0 0 0 0 3.577300 2.774700 2.288900 1XA 0 -0.90000 -0.90000 FITT N5 10
3 3 1 19 1 18 1 17 1 0 0 0 0 1.534800 -0.680000 -1.641500 1XA 0 0.48800 0.48800 FITT C6 11
41 2 1 0 0 0 0 0 0 0 0 0 0 3.281800 1.302500 -1.856100 1XA 0 0.15000 0.15000 FITT H1 12
43 7 1 0 0 0 0 0 0 0 0 0 0 1.677500 0.872300 3.757800 1XA 0 0.27000 0.27000 FITT H2 13
43 10 1 0 0 0 0 0 0 0 0 0 0 4.107300 3.538100 1.877800 1XA 0