|
|
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 -1.623410 1.696530 8.843110 1XA 0 0.33100 0.33100 AGLY C1 1
2 1 1 9 1 10 2 0 0 0 0 0 0 -1.543800 0.170997 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 1.764020 6.809410 1XA 0 0.36000 0.36000 AGLY H1 3
43 8 1 0 0 0 0 0 0 0 0 0 0 -0.127118 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 -2.670680 1.998710 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 2.109180 9.675560 1XA 0 0.00000 0.00000 AGLY H6 6
42 9 1 0 0 0 0 0 0 0 0 0 0 -2.365490 0.328872 10.673200 1XA 0 0.50000 0.50000 AGLY H7 7
26 1 1 3 1 4 1 0 0 0 0 0 0 -1.081780 2.218210 7.578390 1XA 0 -0.99000 -0.99000 AGLY N1 8
16 2 1 7 1 0 0 0 0 0 0 0 0 -2.034380 -0.343708 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 -0.532622 8.004810 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 6.032920 4.150470 3.052100 1XA 0 -0.65000 -0.65000 CHGB O1 1
15 7 2 0 0 0 0 0 0 0 0 0 0 6.066310 6.345410 3.343420 1XA 0 -0.57000 -0.57000 CHGB O2 2
16 8 1 13 1 0 0 0 0 0 0 0 0 3.362790 6.580910 2.485780 1XA 0 -0.68000 -0.68000 CHGB O3 3
16 9 1 14 1 0 0 0 0 0 0 0 0 3.091690 4.769010 4.831030 1XA 0 -0.68000 -0.68000 CHGB O4 4
15 10 2 0 0 0 0 0 0 0 0 0 0 1.477870 4.596710 1.756070 1XA 0 -0.90000 -0.90000 CHGB O5 5
18 10 1 0 0 0 0 0 0 0 0 0 0 0.923206 3.651370 3.769620 1XA 0 -0.90000 -0.90000 CHGB O6 6
2 1 1 2 2 8 1 0 0 0 0 0 0 5.411370 5.355710 3.046670 1XA 0 0.65900 0.65900 CHGB C1 7
3 3 1 7 1 9 1 11 1 0 0 0 0 3.963710 5.282730 2.565920 1XA 0 0.34100 0.34100 CHGB C2 8
3 4 1 8 1 10 1 12 1 0 0 0 0 3.157420 4.330130 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 4.162590 2.917600 1XA 0 0.90600 0.90600 CHGB C4 10
41 8 1 0 0 0 0 0 0 0 0 0 0 4.014080 4.906030 1.536190 1XA 0 0.00000 0.00000 CHGB H1 11
41 9 1 0 0 0 0 0 0 0 0 0 0 3.614630 3.333950 3.462000 1XA 0 0.00000 0.00000 CHGB H2 12
42 3 1 0 0 0 0 0 0 0 0 0 0 2.471550 6.396650 2.113000 1XA 0 0.40000 0.40000 CHGB H3 13
42 4 1 0 0 0 0 0 0 0 0 0 0 2.196190 4.458120 5.104680 1XA 0 0.40000 0.40000 CHGB H4 14
42 1 1 0 0 0 0 0 0 0 0 0 0 6.914400 4.382490 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 #
25 15 1 14 2 2 1 0 0 0 0 0 0 -8.191940 -2.599580 15.520800 1XA 0 -0.17900 -0.17900 AMPT N1 1
2 1 1 4 2 3 1 0 0 0 0 0 0 -7.347330 -2.948070 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 -2.031430 17.449699 1XA 0 -0.90000 -0.90000 AMPT N2 3
25 2 2 5 1 0 0 0 0 0 0 0 0 -6.803010 -4.163530 16.553301 1XA 0 -0.62000 -0.62000 AMPT N3 4
2 4 1 7 2 6 1 0 0 0 0 0 0 -7.151010 -5.041370 15.593200 1XA 0 0.41000 0.41000 AMPT C4 5
25 5 1 19 1 18 1 0 0 0 0 0 0 -6.486080 -6.264890 15.629800 1XA 0 -0.90000 -0.90000 AMPT N4 6
2 5 2 14 1 8 1 0 0 0 0 0 0 -8.037280 -4.745960 14.549600 1XA 0 0.31000 0.31000 AMPT C41 7
25 7 1 9 2 0 0 0 0 0 0 0 0 -8.398840 -5.636370 13.589000 1XA 0 -0.62000 -0.62000 AMPT N5 8
2 8 2 11 1 10 1 0 0 0 0 0 0 -9.272340 -5.228740 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 -6.235140 11.582800 1XA 0 0.14350 0.14350 AMPT C61 10
2 9 1 13 2 12 1 0 0 0 0 0 0 -9.791360 -3.934730 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 -9.441690 -3.037180 13.605300 1XA 0 -0.62000 -0.62000 AMPT N8 13
2 1 2 7 1 13 1 0 0 0 0 0 0 -8.562990 -3.445780 14.557200 1XA 0 0.67100 0.67100 AMPT C81 14
43 1 1 0 0 0 0 0 0 0 0 0 0 -8.612520 -1.681820 15.517000 1XA 0 0.45700 0.45700 AMPT H1 15
43 3 1 0 0 0 0 0 0 0 0 0 0 -6.878750 -1.065270 17.187901 1XA 0 0.40000 0.40000 AMPT H21 16
43 3 1 0 0 0 0 0 0 0 0 0 0 -6.292370 -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 -5.952780 -6.403620 16.482401 1XA 0 0.40000 0.40000 AMPT H41 18
43 6 1 0 0 0 0 0 0 0 0 0 0 -7.059360 -7.061190 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 -6.430270 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 -9.352580 -5.875160 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 -2.419740 11.780100 1XA 0 0.00000 0.00000 AMPT H71 23
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.669300 -4.067720 11.615300 1XA 0 0.00000 0.00000 AMPT H72 24
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.304800 -3.513290 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 #
2 26 1 25 2 2 1 0 0 0 0 0 0 -9.423620 -3.913400 16.152599 1XA 0 0.90600 0.90600 ARGI C1 1
3 1 1 21 1 8 1 3 1 0 0 0 0 -7.870460 -3.861950 16.124701 1XA 0 0.16400 0.16400 ARGI C2 2
3 2 1 11 1 10 1 4 1 0 0 0 0 -7.358650 -3.440970 14.736100 1XA 0 0.00000 0.00000 ARGI C3 3
3 3 1 13 1 12 1 5 1 0 0 0 0 -7.572880 -4.415670 13.557900 1XA 0 0.00000 0.00000 ARGI C4 4
3 4 1 23 1 15 1 14 1 0 0 0 0 -8.885960 -4.225140 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 -4.162290 13.598800 1XA 0 1.20000 1.20000 ARGI C6 6
43 21 1 0 0 0 0 0 0 0 0 0 0 -7.964660 -5.879430 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
43 21 1 0 0 0 0 0 0 0 0 0 0 -7.455430 -5.263810 17.540701 1XA 0 0.36000 0.36000 ARGI H4 9
41 3 1 0 0 0 0 0 0 0 0 0 0 -7.773560 -2.459540 14.474000 1XA 0 0.00000 0.00000 ARGI H6 10
41 3 1 0 0 0 0 0 0 0 0 0 0 -6.274230 -3.288570 14.830400 1XA 0 0.00000 0.00000 ARGI H7 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -6.761090 -4.234820 12.841200 1XA 0 0.00000 0.00000 ARGI H9 12
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.471630 -5.456980 13.880800 1XA 0 0.00000 0.00000 ARGI H10 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.017300 -3.165540 12.547700 1XA 0 0.00000 0.00000 ARGI H12 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.845360 -4.798030 11.857100 1XA 0 0.00000 0.00000 ARGI H13 15
44 23 1 0 0 0 0 0 0 0 0 0 0 -9.856580 -5.305320 14.371900 1XA 0 0.45000 0.45000 ARGI H14 16
43 22 1 0 0 0 0 0 0 0 0 0 0 -11.081900 -3.049110 11.899000 1XA 0 0.45000 0.45000 ARGI H15 17
43 22 1 0 0 0 0 0 0 0 0 0 0 -12.578900 -2.860380 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 -4.898920 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 -4.005510 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 -5.179970 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 -3.308720 12.664400 1XA 0 -0.96667 -0.96667 ARGI N2 22
31 5 1 6 2 16 1 0 0 0 0 0 0 -10.032400 -4.711160 13.546000 1XA 0 -0.84427 -0.84427 ARGI N3 23
25 6 1 19 1 20 1 0 0 0 0 0 0 -12.065800 -4.493260 14.597800 1XA 0 -0.96667 -0.96667 ARGI N4 24
15 1 2 0 0 0 0 0 0 0 0 0 0 -9.939180 -5.080390 16.032000 1XA 0 -0.90000 -0.90000 ARGI O1 25
18 1 1 0 0 0 0 0 0 0 0 0 0 -10.047400 -2.820780 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 -5.593070 13.307600 1XA 0 -0.90000 -0.90000 CHGB O1 1
18 3 1 0 0 0 0 0 0 0 0 0 0 -9.354090 -5.593070 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 -5.013350 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 -3.454050 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 -2.874330 13.307600 1XA 0 -0.90000 -0.90000 CHGB O1F 5
18 4 1 0 0 0 0 0 0 0 0 0 0 -9.354090 -2.874330 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 #
58 14 1 0 0 0 0 0 0 0 0 0 0 -11.720600 -8.100740 15.055100 1XA 0 -0.11100 -0.11100 BBSP BR1 1
49 10 1 8 1 0 0 0 0 0 0 0 0 -9.236220 -1.611520 11.704100 1XA 0 -0.35800 -0.35800 BBSP S1 2
49 11 1 7 1 6 2 5 2 0 0 0 0 -7.342110 -3.506070 16.155701 1XA 0 1.44700 1.44700 BBSP S2 3
15 8 2 0 0 0 0 0 0 0 0 0 0 -9.129550 -4.150880 12.437900 1XA 0 -0.57000 -0.57000 BBSP O1 4
15 3 2 0 0 0 0 0 0 0 0 0 0 -7.895770 -2.561870 17.099501 1XA 0 -0.65000 -0.65000 BBSP O2 5
15 3 2 0 0 0 0 0 0 0 0 0 0 -6.066340 -4.150980 16.365900 1XA 0 -0.65000 -0.65000 BBSP O3 6
25 3 1 17 1 9 1 0 0 0 0 0 0 -7.230390 -2.717120 14.676200 1XA 0 -0.86500 -0.86500 BBSP N1 7
2 2 1 4 2 9 1 0 0 0 0 0 0 -8.951000 -2.983410 12.705000 1XA 0 0.65800 0.65800 BBSP C1 8
3 7 1 8 1 18 1 10 1 0 0 0 0 -8.396150 -2.151050 13.908700 1XA 0 0.36000 0.36000 BBSP C2 9
3 2 1 9 1 20 1 19 1 0 0 0 0 -8.075120 -0.977142 12.946400 1XA 0 0.21700 0.21700 BBSP C3 10
2 3 1 16 1 12 2 0 0 0 0 0 0 -8.553720 -4.762720 15.844200 1XA 0 -0.00900 -0.00900 BBSP C4 11
2 11 2 21 1 13 1 0 0 0 0 0 0 -8.167520 -5.943470 15.201800 1XA 0 -0.15000 -0.15000 BBSP C5 12
2 12 1 22 1 14 2 0 0 0 0 0 0 -9.117680 -6.938340 14.963400 1XA 0 -0.15000 -0.15000 BBSP C6 13
2 1 1 13 2 15 1 0 0 0 0 0 0 -10.436900 -6.751000 15.378400 1XA 0 0.11100 0.11100 BBSP C7 14
2 14 1 23 1 16 2 0 0 0 0 0 0 -10.817200 -5.580320 16.036600 1XA 0 -0.15000 -0.15000 BBSP C8 15
2 11 1 15 2 24 1 0 0 0 0 0 0 -9.871780 -4.581470 16.276600 1XA 0 -0.15000 -0.15000 BBSP C9 16
43 7 1 0 0 0 0 0 0 0 0 0 0 -6.425060 -3.046390 14.140700 1XA 0 0.42000 0.42000 BBSP H1 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.200740 -1.890440 14.612000 1XA 0 0.00000 0.00000 BBSP H2 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.036500 -0.949276 12.597400 1XA 0 0.00000 0.00000 BBSP H31 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.322970 0.010634 13.347500 1XA 0 0.00000 0.00000 BBSP H32 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.139140 -6.095820 14.882100 1XA 0 0.15000 0.15000 BBSP H5 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.822150 -7.852130 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 -5.441020 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 -3.676020 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 #
2 2 1 3 2 13 1 0 0 0 0 0 0 -8.562580 -3.401790 13.699200 1XA 0 -0.03100 -0.03100 CHGB C1 1
2 1 1 8 2 14 1 0 0 0 0 0 0 -8.286990 -4.816810 13.934300 1XA 0 -0.03100 -0.03100 CHGB C2 2
2 1 2 4 1 6 1 0 0 0 0 0 0 -8.400630 -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 -7.842010 -2.893770 11.418400 1XA 0 0.49210 0.49210 CHGB C4 4
24 4 3 0 0 0 0 0 0 0 0 0 0 -7.441010 -3.248670 10.390700 1XA 0 -0.55710 -0.55710 CHGB N5 5
1 3 1 7 3 0 0 0 0 0 0 0 0 -8.941930 -1.198960 12.707800 1XA 0 0.49210 0.49210 CHGB C6 6
24 6 3 0 0 0 0 0 0 0 0 0 0 -9.447590 -0.156833 12.743000 1XA 0 -0.55710 -0.55710 CHGB N7 7
2 2 2 9 1 11 1 0 0 0 0 0 0 -7.306080 -5.697290 13.613700 1XA 0 0.16100 0.16100 CHGB C8 8
1 8 1 10 3 0 0 0 0 0 0 0 0 -6.148310 -5.324820 12.863200 1XA 0 0.49210 0.49210 CHGB C9 9
24 9 3 0 0 0 0 0 0 0 0 0 0 -5.196650 -4.969930 12.305300 1XA 0 -0.55710 -0.55710 CHGB N10 10
1 8 1 12 3 0 0 0 0 0 0 0 0 -7.248230 -7.019630 14.152600 1XA 0 0.49210 0.49210 CHGB C11 11
24 11 3 0 0 0 0 0 0 0 0 0 0 -7.203230 -8.061760 14.657500 1XA 0 -0.55710 -0.55710 CHGB N12 12
2 1 1 14 1 15 2 0 0 0 0 0 0 -9.205330 -3.401790 15.010800 1XA 0 -0.03100 -0.03100 CHGB C1B 13
2 2 1 13 1 16 2 0 0 0 0 0 0 -9.480910 -4.816810 14.775700 1XA 0 -0.03100 -0.03100 CHGB C2B 14
2 13 2 17 1 18 1 0 0 0 0 0 0 -9.367270 -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 -5.697290 15.096300 1XA 0 0.16100 0.16100 CHGB C8B 16
1 15 1 21 3 0 0 0 0 0 0 0 0 -9.925890 -2.893770 17.291599 1XA 0 0.49210 0.49210 CHGB C4B 17
1 15 1 22 3 0 0 0 0 0 0 0 0 -8.825970 -1.198960 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 -5.324820 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 -7.019630 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 -3.248670 18.319300 1XA 0 -0.55710 -0.55710 CHGB N5B 21
24 18 3 0 0 0 0 0 0 0 0 0 0 -8.320310 -0.156833 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 -4.969930 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 -8.061760 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 -9.460050 -4.542510 14.521300 1XA 0 -0.39400 -0.39400 BEWC N1 1
2 1 1 3 2 24 1 0 0 0 0 0 0 -8.147290 -4.446650 14.082800 1XA 0 0.12340 0.12340 BEWC C2 2
2 2 2 4 1 9 1 0 0 0 0 0 0 -7.961840 -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 -9.245520 -5.672190 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 -5.403720 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 -4.268820 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 -4.044960 12.886900 1XA 0 -0.24540 -0.24540 BEWC C8 8
49 3 1 10 1 16 2 0 0 0 0 0 0 -6.438740 -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 -5.554350 -6.343150 13.055800 1XA 0 -0.09400 -0.09400 BEWC C10 10
2 10 2 12 1 41 1 0 0 0 0 0 0 -5.914690 -7.633010 13.050600 1XA 0 -0.04100 -0.04100 BEWC C11 11
25 11 1 13 1 42 1 0 0 0 0 0 0 -5.287950 -8.577840 13.827600 1XA 0 -0.53900 -0.53900 BEWC N12 12
2 12 1 14 2 15 1 0 0 0 0 0 0 -5.698830 -9.898140 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 -4.836530 -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 -6.778580 -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 -2.742070 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 -5.048040 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 -7.178210 11.061800 1XA 0 0.65900 0.65900 BEWC C20 20
15 20 2 0 0 0 0 0 0 0 0 0 0 -14.026400 -7.060040 10.527800 1XA 0 -0.57000 -0.57000 BEWC O21 21
3 20 1 51 1 52 1 53 1 0 0 0 0 -12.049600 -8.381080 10.936600 1XA 0 0.06100 0.06100 BEWC C22 22
15 7 2 0 0 0 0 0 0 0 0 0 0 -10.270000 -2.323090 14.695300 1XA 0 -0.57000 -0.57000 BEWC O23 23
2 2 1 25 2 26 1 0 0 0 0 0 0 -7.126620 -3.690370 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 -3.541240 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 -3.232650 16.018499 1XA 0 -0.43000 -0.43000 BEWC O26 26
3 26 1 28 1 54 1 55 1 0 0 0 0 -6.810220 -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 -6.819270 -0.989577 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 -0.347840 16.007401 1XA 0 -0.15000 -0.15000 BEWC C29 29
2 29 1 31 2 59 1 0 0 0 0 0 0 -5.630790 0.979542 15.570600 1XA 0 -0.15000 -0.15000 BEWC C30 30
2 30 2 32 1 34 1 0 0 0 0 0 0 -6.845650 1.671380 15.484300 1XA 0 0.13300 0.13300 BEWC C31 31
2 31 1 33 2 56 1 0 0 0 0 0 0 -8.047490 1.044080 15.831200 1XA 0 -0.15000 -0.15000 BEWC C32 32
2 28 1 32 2 57 1 0 0 0 0 0 0 -8.028330 -0.282299 16.268499 1XA 0 -0.15000 -0.15000 BEWC C33 33
31 31 1 35 1 36 2 0 0 0 0 0 0 -6.857870 3.065140 15.024200 1XA 0 0.90700 0.90700 BEWC N34 34
18 34 1 0 0 0 0 0 0 0 0 0 0 -5.774620 3.576450 14.704500 1XA 0 -0.52000 -0.52000 BEWC O35 35
15 34 2 0 0 0 0 0 0 0 0 0 0 -7.948730 3.652380 14.985800 1XA 0 -0.52000 -0.52000 BEWC O36 36
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2 3 2 4 1 7 1 0 0 0 0 0 0 -8.121780 -4.792470 15.103000 1XA 0 0.16000 0.16000 CILW C1 6
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.790090 -5.120730 16.081499 1XA 0 0.15000 0.15000 CILW H1 7
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.047900 -4.053230 15.712500 1XA 0 0.15000 0.15000 CILW H2 8
41 5 1 0 0 0 0 0 0 0 0 0 0 -10.531000 -3.396320 13.323200 1XA 0 0.15000 0.15000 CILW H3 9
29 [CIMRUL10,29,29,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 -13.443900 -3.278110 15.613900 1XA 0 -0.22730 -0.22730 UNCH CL1 1
15 9 2 0 0 0 0 0 0 0 0 0 0 -9.745400 -6.165320 12.566600 1XA 0 -0.57000 -0.57000 UNCH O1 2
15 16 2 0 0 0 0 0 0 0 0 0 0 -11.744200 -2.887260 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 -5.118930 14.602200 1XA 0 -0.57900 -0.57900 UNCH N1 5
3 5 1 7 1 8 1 16 1 0 0 0 0 -11.222800 -4.467360 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 -4.592320 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 -5.331320 13.991300 1XA 0 -0.20000 -0.20000 UNCH C3 8
2 2 2 5 1 10 1 0 0 0 0 0 0 -9.278390 -5.867790 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 -6.976480 -6.506640 12.988700 1XA 0 -0.15000 -0.15000 UNCH C6 11
2 11 1 13 2 23 1 0 0 0 0 0 0 -5.667630 -6.890870 13.284100 1XA 0 -0.15000 -0.15000 UNCH C7 12
2 12 2 14 1 24 1 0 0 0 0 0 0 -5.273540 -7.059010 14.610900 1XA 0 -0.15000 -0.15000 UNCH C8 13
2 13 1 15 2 25 1 0 0 0 0 0 0 -6.187460 -6.851340 15.644100 1XA 0 -0.15000 -0.15000 UNCH C9 14
2 10 1 14 2 26 1 0 0 0 0 0 0 -7.498470 -6.465660 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 -1.096790 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 -6.407210 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 -4.989270 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 -5.168450 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 -4.649450 15.309400 1XA 0 0.37000 0.37000 UNCH H4 21
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.279470 -6.382870 11.950400 1XA 0 0.15000 0.15000 UNCH H5 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -4.958140 -7.063150 12.478300 1XA 0 0.15000 0.15000 UNCH H6 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -4.254490 -7.362890 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 -7.001030 16.676300 1XA 0 0.15000 0.15000 UNCH H8 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.199740 -6.344110 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 -0.534701 13.474800 1XA 0 0.00000 0.00000 UNCH H10 27
41 17 1 0 0 0 0 0 0 0 0 0 0 -9.252190 -0.523227 14.003900 1XA 0 0.00000 0.00000 UNCH H11 28
41 17 1 0 0 0 0 0 0 0 0 0 0 -9.656790 -1.240360 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 -6.591540 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 -7.041070 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 -4.706650 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 -5.128840 11.066800 1XA 0 -0.52000 -0.52000 UNCH O4 4
18 10 1 0 0 0 0 0 0 0 0 0 0 -9.944960 -2.222620 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 -1.505080 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 -3.277440 17.116501 1XA 0 -0.52000 -0.52000 UNCH O7 7
15 11 2 0 0 0 0 0 0 0 0 0 0 -9.601050 -4.530470 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 -4.852960 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 -2.228540 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 -9.152030 -5.782620 13.646200 1XA 0 0.34100 0.34100 UNCH C2 13
3 9 1 13 1 15 1 23 1 0 0 0 0 -9.506410 -4.641740 12.668300 1XA 0 0.24020 0.24020 UNCH C3 14
3 10 1 14 1 16 1 18 1 0 0 0 0 -9.325520 -3.215390 13.267500 1XA 0 0.47340 0.47340 UNCH C4 15
2 15 1 17 2 24 1 0 0 0 0 0 0 -9.776380 -3.139260 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 -4.222670 15.490600 1XA 0 0.21880 0.21880 UNCH C6 17
3 15 1 19 1 20 1 25 1 0 0 0 0 -7.863110 -2.735570 13.074000 1XA 0 -0.19500 -0.19500 UNCH C7 18
3 18 1 20 1 26 1 27 1 0 0 0 0 -7.429160 -1.351130 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 -2.560220 14.195800 1XA 0 -0.20000 -0.20000 UNCH C9 20
3 13 1 30 1 31 1 32 1 0 0 0 0 -7.645580 -5.890730 13.914400 1XA 0 0.00000 0.00000 UNCH C10 21
42 2 1 0 0 0 0 0 0 0 0 0 0 -9.648010 -7.680460 13.791800 1XA 0 0.40000 0.40000 UNCH H2 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.934950 -4.761440 11.737200 1XA 0 0.00000 0.00000 UNCH H3 23
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.891090 -2.143020 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 -3.035180 12.102400 1XA 0 0.10000 0.10000 UNCH H7 25
41 19 1 0 0 0 0 0 0 0 0 0 0 -8.104910 -0.723335 14.093400 1XA 0 0.10000 0.10000 UNCH H81 26
41 19 1 0 0 0 0 0 0 0 0 0 0 -6.781610 -0.782761 12.859300 1XA 0 0.10000 0.10000 UNCH H82 27
41 20 1 0 0 0 0 0 0 0 0 0 0 -5.814980 -2.799860 13.988500 1XA 0 0.10000 0.10000 UNCH H91 28
41 20 1 0 0 0 0 0 0 0 0 0 0 -7.124180 -2.718180 15.233900 1XA 0 0.10000 0.10000 UNCH H92 29
41 21 1 0 0 0 0 0 0 0 0 0 0 -7.406520 -6.850050 14.390700 1XA 0 0.00000 0.00000 UNCH H101 30
41 21 1 0 0 0 0 0 0 0 0 0 0 -7.274880 -5.110980 14.581200 1XA 0 0.00000 0.00000 UNCH H102 31
41 21 1 0 0 0 0 0 0 0 0 0 0 -7.076530 -5.861170 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 -9.080050 -5.142160 14.102600 1XA 0 -0.12600 -0.12600 CIPV N11 1
25 1 2 3 1 0 0 0 0 0 0 0 0 -8.729530 -6.309620 14.488500 1XA 0 -0.06200 -0.06200 CIPV N21 2
26 2 1 9 1 4 1 0 0 0 0 0 0 -7.943790 -6.187260 15.647500 1XA 0 -0.37810 -0.37810 CIPV N31 3
25 3 1 8 1 5 1 0 0 0 0 0 0 -7.753220 -4.872780 15.824600 1XA 0 0.70960 0.70960 CIPV N41 4
25 4 1 6 2 0 0 0 0 0 0 0 0 -7.093080 -4.120910 16.691601 1XA 0 -0.70680 -0.70680 CIPV N51 5
2 5 2 10 1 7 1 0 0 0 0 0 0 -7.417390 -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 -8.296850 -2.894120 15.132600 1XA 0 -0.08600 -0.08600 CIPV C71 7
2 1 1 4 1 7 2 0 0 0 0 0 0 -8.472460 -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 -7.148330 15.818600 1XA 0 0.30010 0.30010 CIPV C311 9
3 6 1 21 1 20 1 19 1 0 0 0 0 -6.877160 -1.690230 16.987000 1XA 0 0.18100 0.18100 CIPV C611 10
15 12 2 0 0 0 0 0 0 0 0 0 0 -8.634520 -0.612181 14.703700 1XA 0 -0.57000 -0.57000 CIPV O721 11
2 7 1 11 2 13 1 0 0 0 0 0 0 -8.859640 -1.779470 14.408400 1XA 0 0.80600 0.80600 CIPV C731 12
16 12 1 14 1 0 0 0 0 0 0 0 0 -9.656450 -2.168220 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 -1.090010 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 -1.682320 11.525000 1XA 0 0.00000 0.00000 CIPV C761 15
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.117740 -6.990910 15.056200 1XA 0 0.00000 0.00000 CIPV H311 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.300530 -8.156110 15.724200 1XA 0 0.00000 0.00000 CIPV H321 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.450590 -7.035350 16.815399 1XA 0 0.00000 0.00000 CIPV H331 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.283990 -1.073560 16.304501 1XA 0 0.00000 0.00000 CIPV H611 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.693730 -1.081690 17.388100 1XA 0 0.00000 0.00000 CIPV H621 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.232950 -1.982330 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 -9.442570 -0.472116 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 -2.320430 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 -0.894437 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 -2.313930 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 -9.207880 -4.772080 14.208800 1XA 0 0.00000 0.00000 CHGB C1 1
2 1 1 3 1 5 2 0 0 0 0 0 0 -7.941130 -4.251920 14.494700 1XA 0 0.00000 0.00000 CHGB C2 2
2 1 1 2 1 6 2 0 0 0 0 0 0 -9.032560 -3.390490 14.340800 1XA 0 0.00000 0.00000 CHGB C3 3
2 1 2 7 1 8 1 0 0 0 0 0 0 -9.994490 -5.809420 13.980900 1XA 0 0.13000 0.13000 CHGB C4 4
2 2 2 9 1 10 1 0 0 0 0 0 0 -6.654830 -4.438060 14.734600 1XA 0 0.13000 0.13000 CHGB C5 5
2 3 2 11 1 12 1 0 0 0 0 0 0 -9.532270 -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 -5.624050 13.722000 1XA 0 0.49210 0.49210 CHGB C7 7
1 4 1 14 3 0 0 0 0 0 0 0 0 -9.471230 -7.128580 13.990700 1XA 0 0.49210 0.49210 CHGB C8 8
1 5 1 15 3 0 0 0 0 0 0 0 0 -6.104980 -5.746310 14.750400 1XA 0 0.49210 0.49210 CHGB C9 9
1 5 1 16 3 0 0 0 0 0 0 0 0 -5.798770 -3.333270 14.980900 1XA 0 0.49210 0.49210 CHGB C10 10
1 6 1 17 3 0 0 0 0 0 0 0 0 -8.699120 -1.044130 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 -1.952630 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 -5.459810 13.511700 1XA 0 -0.55710 -0.55710 CHGB N1 13
24 8 3 0 0 0 0 0 0 0 0 0 0 -9.032160 -8.200910 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 -6.819410 14.760600 1XA 0 -0.55710 -0.55710 CHGB N3 15
24 10 3 0 0 0 0 0 0 0 0 0 0 -5.109910 -2.423120 15.180600 1XA 0 -0.55710 -0.55710 CHGB N4 16
24 11 3 0 0 0 0 0 0 0 0 0 0 -8.008640 -0.135261 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 -1.790450 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 -4.268230 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 -6.518680 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 -7.654970 -1.935870 14.654000 1XA 0 0.15000 0.15000 UNCH H1B 12
49 10 1 14 1 0 0 0 0 0 0 0 0 -5.948390 -5.916630 15.069100 1XA 0 0.44140 0.44140 UNCH S1B 13
25 11 2 13 1 0 0 0 0 0 0 0 0 -6.243140 -4.268240 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 -8.794390 -3.264560 14.004900 1XA 0 -0.15000 -0.15000 CISP C1 1
2 1 2 3 1 13 1 0 0 0 0 0 0 -8.961130 -4.641320 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 -5.626070 13.480900 1XA 0 0.00000 0.00000 CISP C3 3
2 3 2 5 1 15 1 0 0 0 0 0 0 -7.535290 -5.211410 12.402600 1XA 0 0.13300 0.13300 CISP C4 4
2 4 1 6 2 22 1 0 0 0 0 0 0 -7.343260 -3.849670 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 -2.893730 12.921800 1XA 0 0.13300 0.13300 CISP C6 6
2 3 1 14 2 23 1 0 0 0 0 0 0 -8.759630 -6.843570 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 -4.846110 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 -3.591640 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 -3.637620 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 -4.891920 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 -5.649450 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 -5.323130 15.228700 1XA 0 0.64560 0.64560 CISP N5 13
25 7 2 13 1 0 0 0 0 0 0 0 0 -9.559610 -6.668680 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 -7.780680 -1.464840 12.625900 1XA 0 0.90700 0.90700 CISP N8 16
18 15 1 0 0 0 0 0 0 0 0 0 0 -7.403990 -7.337080 11.500500 1XA 0 -0.52000 -0.52000 CISP O1 17
15 15 2 0 0 0 0 0 0 0 0 0 0 -5.830720 -5.887760 11.008600 1XA 0 -0.52000 -0.52000 CISP O2 18
18 16 1 0 0 0 0 0 0 0 0 0 0 -7.180230 -1.174860 11.582600 1XA 0 -0.52000 -0.52000 CISP O3 19
15 16 2 0 0 0 0 0 0 0 0 0 0 -8.228990 -0.643682 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 -2.519150 14.628900 1XA 0 0.15000 0.15000 CISP H1 21
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.710050 -3.547860 11.286000 1XA 0 0.15000 0.15000 CISP H5 22
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.508450 -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 -6.661290 17.187901 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 -9.059060 -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 -7.736630 -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 -7.175990 -2.904920 15.477900 1XA 0 -0.17700 -0.17700 UNCH CL2 3
2 2 1 5 1 6 2 0 0 0 0 0 0 -6.893750 -4.529520 13.290900 1XA 0 0.17700 0.17700 UNCH C3 4
57 4 1 0 0 0 0 0 0 0 0 0 0 -5.251680 -4.014490 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 -5.471370 12.369100 1XA 0 -0.15000 -0.15000 UNCH C4 6
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.714930 -5.846520 11.583100 1XA 0 0.15000 0.15000 UNCH H4 7
2 6 1 9 1 10 2 0 0 0 0 0 0 -8.679690 -5.943740 12.453300 1XA 0 -0.15000 -0.15000 UNCH C5 8
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.032930 -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 -9.525820 -5.469110 13.454400 1XA 0 0.17700 0.17700 UNCH C6 10
57 10 1 0 0 0 0 0 0 0 0 0 0 -11.131200 -6.093110 13.546900 1XA 0 -0.17700 -0.17700 UNCH CL6 11
16 1 1 13 1 0 0 0 0 0 0 0 0 -9.912310 -4.049760 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 -2.928510 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 -2.378320 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 -2.482360 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 -2.216740 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 -1.599760 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 -3.276930 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 -8.266370 -2.234210 13.217100 1XA 0 -0.37100 -0.37100 CITK S1 1
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27 [CIZFIA,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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3 1 1 2 1 4 1 6 1 0 0 0 0 -9.344260 -5.023810 15.108500 1XA 0 -0.04900 -0.04900 CIZJ C4 8
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31 1 1 11 1 9 2 0 0 0 0 0 0 -9.472430 -3.151800 15.010100 1XA 0 0.86800 0.86800 CIZW N2 8
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41 12 1 0 0 0 0 0 0 0 0 0 0 -9.338390 -2.275530 16.184299 1XA 0 0.00000 0.00000 UNCH H12 25
22 [COCXUN,22,22,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 14 2 9 1 2 1 0 0 0 0 0 0 -9.839570 -3.386410 13.417200 1XA 0 0.34940 0.34940 COCX C1 1
2 1 1 17 1 3 2 0 0 0 0 0 0 -8.482430 -3.807500 12.971600 1XA 0 -0.13560 -0.13560 COCX C2 2
2 2 2 18 1 4 1 0 0 0 0 0 0 -7.645960 -4.496810 13.750500 1XA 0 -0.13560 -0.13560 COCX C3 3
2 3 1 16 2 10 1 0 0 0 0 0 0 -7.990440 -4.910220 15.139100 1XA 0 0.34940 0.34940 COCX C4 4
2 19 1 10 1 6 2 0 0 0 0 0 0 -9.742010 -4.858910 16.920700 1XA 0 -0.15000 -0.15000 COCX C5 5
2 5 2 20 1 7 1 0 0 0 0 0 0 -11.000700 -4.496020 17.401800 1XA 0 -0.15000 -0.15000 COCX C6 6
2 6 1 21 1 8 2 0 0 0 0 0 0 -11.872200 -3.777850 16.590300 1XA 0 -0.15000 -0.15000 COCX C7 7
2 7 2 22 1 9 1 0 0 0 0 0 0 -11.485200 -3.422390 15.297500 1XA 0 -0.15000 -0.15000 COCX C8 8
2 1 1 8 1 10 2 0 0 0 0 0 0 -10.219100 -3.783310 14.803500 1XA 0 0.08620 0.08620 COCX C9 9
2 4 1 5 1 9 2 0 0 0 0 0 0 -9.342760 -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 -10.389100 -2.344820 11.462200 1XA 0 0.66310 0.66310 COCX C11 11
1 16 1 15 3 0 0 0 0 0 0 0 0 -6.004150 -5.958290 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 -2.034330 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 -2.717260 12.709000 1XA 0 -0.55600 -0.55600 COCX N2 14
24 12 3 0 0 0 0 0 0 0 0 0 0 -4.952620 -6.274840 15.176300 1XA 0 -0.55710 -0.55710 COCX N3 15
25 4 2 12 1 0 0 0 0 0 0 0 0 -7.222930 -5.578970 15.942700 1XA 0 -0.55600 -0.55600 COCX N4 16
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.164050 -3.539810 11.968700 1XA 0 0.15000 0.15000 COCX H2 17
41 3 1 0 0 0 0 0 0 0 0 0 0 -6.670810 -4.770340 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 -5.420860 17.575001 1XA 0 0.15000 0.15000 COCX H5 19
41 6 1 0 0 0 0 0 0 0 0 0 0 -11.298800 -4.774930 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 -3.493160 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 -2.860280 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 -9.846970 -5.911410 17.778601 1XA 0 -0.33810 -0.33810 COGD N1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -8.830980 -6.165990 18.672199 1XA 0 0.00000 0.00000 COGD N2 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -7.663320 -5.738990 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 -5.207730 17.012100 1XA 0 0.77160 0.77160 COGD N4 4
25 4 1 8 2 0 0 0 0 0 0 0 0 -6.982520 -4.660270 16.222300 1XA 0 -0.65200 -0.65200 COGD N5 5
25 9 2 7 1 0 0 0 0 0 0 0 0 -9.825340 -4.847380 15.583700 1XA 0 -0.57600 -0.57600 COGD N6 6
2 1 2 4 1 6 1 0 0 0 0 0 0 -9.290110 -5.314750 16.744400 1XA 0 0.31250 0.31250 COGD C1 7
2 5 2 10 1 9 1 0 0 0 0 0 0 -7.479590 -4.208240 15.107200 1XA 0 0.43560 0.43560 COGD C2 8
2 6 2 8 1 13 1 0 0 0 0 0 0 -8.972110 -4.301710 14.762100 1XA 0 0.36380 0.36380 COGD C3 9
2 8 1 18 1 11 2 0 0 0 0 0 0 -6.585580 -3.573590 14.116000 1XA 0 -0.13560 -0.13560 COGD C4 10
2 10 2 19 1 12 1 0 0 0 0 0 0 -7.060160 -3.098160 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 -3.171920 12.602000 1XA 0 0.02840 0.02840 COGD C6 12
2 9 1 12 2 17 1 0 0 0 0 0 0 -9.419180 -3.751470 13.461700 1XA 0 0.08620 0.08620 COGD C7 13
2 12 1 20 1 15 2 0 0 0 0 0 0 -8.908110 -2.653710 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 -2.714210 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 -3.292310 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 -3.811830 13.098700 1XA 0 -0.15000 -0.15000 COGD C11 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -5.532910 -3.513110 14.370700 1XA 0 0.15000 0.15000 COGD H4 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -6.378990 -2.636330 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 -2.196920 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 -2.309060 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 -3.338940 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 -4.261090 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 -7.502230 -1.029240 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 -3.688130 12.775700 1XA 0 -0.70680 -0.70680 COGH N1 2
25 2 1 4 1 7 1 0 0 0 0 0 0 -8.995370 -3.813310 13.609100 1XA 0 0.85900 0.85900 COGH N2 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -7.960510 -2.959740 13.376100 1XA 0 -0.70680 -0.70680 COGH N3 4
2 1 1 4 2 6 1 0 0 0 0 0 0 -8.410550 -2.258410 12.337600 1XA 0 0.41180 0.41180 COGH C4 5
2 2 2 5 1 13 1 0 0 0 0 0 0 -9.684330 -2.694490 11.971300 1XA 0 0.13880 0.13880 COGH C5 6
2 3 1 8 2 12 1 0 0 0 0 0 0 -8.959540 -4.773930 14.653400 1XA 0 -0.02300 -0.02300 COGH C6 7
2 7 2 9 1 14 1 0 0 0 0 0 0 -7.834120 -4.866860 15.485200 1XA 0 -0.15000 -0.15000 COGH C7 8
2 8 1 10 2 15 1 0 0 0 0 0 0 -7.803020 -5.813390 16.511400 1XA 0 -0.15000 -0.15000 COGH C8 9
2 9 2 11 1 16 1 0 0 0 0 0 0 -8.888720 -6.666060 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 -6.576710 15.885200 1XA 0 -0.15000 -0.15000 COGH C10 11
2 7 1 11 2 18 1 0 0 0 0 0 0 -10.049200 -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 -2.348960 11.180500 1XA 0 0.15000 0.15000 COGH H1 13
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.976210 -4.211330 15.347400 1XA 0 0.15000 0.15000 COGH H2 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.930500 -5.885320 17.156300 1XA 0 0.15000 0.15000 COGH H3 15
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.861130 -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 -7.242780 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 -5.580030 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 -9.299190 -2.292830 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 -4.078080 15.991200 1XA 0 -0.43000 -0.43000 UNCH O9 2
25 1 1 7 2 0 0 0 0 0 0 0 0 -8.107840 -2.163380 12.893100 1XA 0 -0.50950 -0.50950 UNCH N2 3
25 7 1 8 2 0 0 0 0 0 0 0 0 -7.994410 -4.416540 13.606800 1XA 0 -0.56530 -0.56530 UNCH N4 4
24 9 3 0 0 0 0 0 0 0 0 0 0 -5.603340 -3.770730 11.120800 1XA 0 -0.55710 -0.55710 UNCH N7 5
25 10 2 12 1 0 0 0 0 0 0 0 0 -9.430870 -6.000820 15.536000 1XA 0 -0.85000 -0.85000 UNCH N11 6
2 3 2 4 1 9 1 0 0 0 0 0 0 -7.545160 -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 -8.975070 -3.946360 14.358800 1XA 0 0.29310 0.29310 UNCH C5 8
1 5 3 7 1 0 0 0 0 0 0 0 0 -6.472210 -3.585780 11.871400 1XA 0 0.53810 0.53810 UNCH C6 9
2 2 1 6 2 8 1 0 0 0 0 0 0 -9.687110 -4.751730 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 -4.836880 16.958599 1XA 0 0.28000 0.28000 UNCH C10 11
43 6 1 0 0 0 0 0 0 0 0 0 0 -8.659520 -6.279860 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 -4.173140 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 -5.664370 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 -5.201810 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 -8.808110 -5.574820 13.642900 1XA 0 -0.17900 -0.17900 COJF N1 1
2 1 1 23 1 3 2 0 0 0 0 0 0 -7.626280 -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 -6.708960 -5.467550 14.780900 1XA 0 -0.57900 -0.57900 COJF N3 3
2 3 1 10 1 5 2 0 0 0 0 0 0 -7.123810 -4.214030 15.131700 1XA 0 0.61900 0.61900 COJF C4 4
2 4 2 8 1 6 1 0 0 0 0 0 0 -8.332620 -3.624480 14.777400 1XA 0 0.30900 0.30900 COJF C5 5
2 1 2 5 1 7 1 0 0 0 0 0 0 -9.255770 -4.347670 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 -3.958020 13.472600 1XA 0 -0.83820 -0.83820 COJF N6 7
25 5 1 14 1 9 2 0 0 0 0 0 0 -8.299610 -2.364070 15.368700 1XA 0 -0.70000 -0.70000 COJF N7 8
2 8 2 15 1 10 1 0 0 0 0 0 0 -7.143480 -2.188720 16.033100 1XA 0 0.65000 0.65000 COJF C8 9
25 4 1 9 1 16 1 0 0 0 0 0 0 -6.438160 -3.312400 15.886600 1XA 0 -0.70000 -0.70000 COJF N9 10
3 7 1 19 1 18 1 17 1 0 0 0 0 -11.639700 -4.721060 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 -2.522620 13.328200 1XA 0 0.36910 0.36910 COJF C11 12
43 1 1 0 0 0 0 0 0 0 0 0 0 -9.406480 -6.114120 13.015300 1XA 0 0.45700 0.45700 COJF H1 13
43 8 1 0 0 0 0 0 0 0 0 0 0 -9.029130 -1.652690 15.337500 1XA 0 0.45000 0.45000 COJF H7 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.845330 -1.302680 16.585699 1XA 0 0.15000 0.15000 COJF H8 15
43 10 1 0 0 0 0 0 0 0 0 0 0 -5.513770 -3.480760 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 -4.505740 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 -4.454760 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 -5.799420 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 -2.006720 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 12.674800 1XA 0 0.00000 0.00000 COJF H14 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.974200 -2.061380 14.296800 1XA 0 0.00000 0.00000 COJF H15 22
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.386460 -7.093240 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 -9.414220 -2.574950 12.872700 1XA 0 0.35850 0.35850 COKD S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -8.040210 -2.579930 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 -3.697220 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 -3.542960 11.784700 1XA 0 0.19350 0.19350 COKD C1 4
3 3 1 6 1 8 1 12 1 0 0 0 0 -8.556850 -3.455790 15.137700 1XA 0 0.48000 0.48000 COKD C2 5
1 5 1 7 3 0 0 0 0 0 0 0 0 -9.330160 -2.780270 16.204599 1XA 0 -0.20000 -0.20000 COKD C3 6
1 6 3 13 1 0 0 0 0 0 0 0 0 -9.959630 -2.222580 17.062599 1XA 0 -0.17700 -0.17700 COKD C4 7
3 5 1 9 1 10 1 11 1 0 0 0 0 -7.947860 -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 -7.146070 -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 -4.607460 16.788099 1XA 0 0.00000 0.00000 COKD C7 10
3 8 1 23 1 24 1 25 1 0 0 0 0 -9.038910 -5.826640 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 -2.799620 14.846900 1XA 0 0.00000 0.00000 COKD H2 12
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.518000 -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 -3.665040 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 -3.006120 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 -4.521120 11.595600 1XA 0 0.00000 0.00000 COKD H13 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.661890 -6.370620 14.742100 1XA 0 0.00000 0.00000 COKD H61 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.789410 -5.664790 13.581300 1XA 0 0.00000 0.00000 COKD H62 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.360980 -4.752530 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 -4.242170 17.678900 1XA 0 0.00000 0.00000 COKD H71 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.488980 -5.546060 17.064899 1XA 0 0.00000 0.00000 COKD H72 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.200150 -3.883590 16.535101 1XA 0 0.00000 0.00000 COKD H73 22
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.736760 -6.021740 15.193300 1XA 0 0.00000 0.00000 COKD H81 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.595350 -6.786980 16.302601 1XA 0 0.00000 0.00000 COKD H82 24
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.619720 -5.468870 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 -11.775500 -6.957580 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 -7.576330 10.765700 1XA 0 0.00000 0.00000 CHGB H2 2
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.539650 -8.951670 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 -8.472820 11.725900 1XA 0 0.00000 0.00000 CHGB H4 4
41 19 1 0 0 0 0 0 0 0 0 0 0 -6.832210 -3.772990 15.016600 1XA 0 0.15000 0.15000 CHGB H5 5
41 20 1 0 0 0 0 0 0 0 0 0 0 -6.131750 -1.875990 13.594400 1XA 0 0.15000 0.15000 CHGB H6 6
41 22 1 0 0 0 0 0 0 0 0 0 0 -9.904580 0.067409 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 -1.836810 15.765500 1XA 0 0.15000 0.15000 CHGB H8 8
43 24 1 0 0 0 0 0 0 0 0 0 0 -6.564390 0.420795 12.983200 1XA 0 0.40000 0.40000 CHGB H9 9
43 24 1 0 0 0 0 0 0 0 0 0 0 -8.035660 1.190730 13.287600 1XA 0 0.40000 0.40000 CHGB H10 10
16 15 1 12 1 0 0 0 0 0 0 0 0 -8.734250 -6.650940 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 -5.827610 14.045800 1XA 0 -0.40970 -0.40970 CHGB N1 12
2 12 2 17 1 14 1 0 0 0 0 0 0 -9.880310 -5.871060 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 -9.978630 -7.186020 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 -8.094170 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 -5.193870 15.747900 1XA 0 -0.23410 -0.23410 CHGB N2 17
2 27 1 23 1 19 2 0 0 0 0 0 0 -8.745640 -2.905450 15.481800 1XA 0 -0.00900 -0.00900 CHGB C5 18
2 5 1 18 2 20 1 0 0 0 0 0 0 -7.487650 -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 -1.835930 14.088100 1XA 0 -0.15000 -0.15000 CHGB C7 20
2 20 2 24 1 22 1 0 0 0 0 0 0 -7.931050 -0.721566 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 -0.751342 14.503800 1XA 0 -0.15000 -0.15000 CHGB C9 22
2 8 1 18 1 22 2 0 0 0 0 0 0 -9.613790 -1.828770 15.296900 1XA 0 -0.15000 -0.15000 CHGB C10 23
25 9 1 10 1 21 1 0 0 0 0 0 0 -7.570480 0.317809 13.063800 1XA 0 -0.90000 -0.90000 CHGB N3 24
15 27 2 0 0 0 0 0 0 0 0 0 0 -9.907730 -3.536650 17.651400 1XA 0 -0.65000 -0.65000 CHGB O2 25
15 27 2 0 0 0 0 0 0 0 0 0 0 -7.990140 -4.882980 16.966499 1XA 0 -0.65000 -0.65000 CHGB O3 26
49 17 1 18 1 25 2 26 2 0 0 0 0 -9.258190 -4.273840 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 -5.921520 13.972300 1XA 0 0.05510 0.05510 COLZ P1 1
3 20 1 19 1 8 1 3 1 0 0 0 0 -7.470820 -6.306590 15.589100 1XA 0 0.00000 0.00000 COLZ C1 2
3 2 1 22 1 21 1 4 1 0 0 0 0 -7.460760 -6.372010 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 -8.297090 -4.947110 12.209900 1XA 0 0.27000 0.27000 COLZ C3 5
3 5 1 26 1 25 1 10 1 0 0 0 0 -7.366390 -3.697860 12.290700 1XA 0 0.27000 0.27000 COLZ C4 6
26 1 1 11 1 8 1 0 0 0 0 0 0 -9.992680 -5.993230 15.657200 1XA 0 -0.65100 -0.65100 COLZ N2 7
3 2 1 7 1 28 1 27 1 0 0 0 0 -8.821860 -6.683210 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 -7.683350 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 -2.499780 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 -4.795160 16.419100 1XA 0 0.27000 0.27000 COLZ C4B 11
53 10 1 16 1 15 1 0 0 0 0 0 0 -7.624070 -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 -8.946520 -1.809810 12.501400 1XA 0 0.27000 0.27000 COLZ C5B 13
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41 17 1 0 0 0 0 0 0 0 0 0 0 -10.594000 -3.184820 12.790000 1XA 0 0.00000 0.00000 COLZ H24 42
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23 [COMDIR,23,23,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
58 7 1 0 0 0 0 0 0 0 0 0 0 -6.040920 -6.121890 12.289200 1XA 0 -0.11000 -0.11000 UNCH BR1 1
58 10 1 0 0 0 0 0 0 0 0 0 0 -8.656900 -1.838740 15.522800 1XA 0 -0.23000 -0.23000 UNCH BR2 2
15 5 2 0 0 0 0 0 0 0 0 0 0 -9.509070 -2.385030 12.442700 1XA 0 -0.57000 -0.57000 UNCH O1 3
15 8 2 0 0 0 0 0 0 0 0 0 0 -7.524750 -6.701190 14.902800 1XA 0 -0.57000 -0.57000 UNCH O2 4
2 3 2 6 1 10 1 0 0 0 0 0 0 -8.964590 -3.232120 13.150300 1XA 0 0.49460 0.49460 UNCH C1 5
2 5 1 7 2 16 1 0 0 0 0 0 0 -7.889840 -4.040710 12.551000 1XA 0 -0.13560 -0.13560 UNCH C2 6
2 1 1 6 2 8 1 0 0 0 0 0 0 -7.378830 -5.124510 13.139400 1XA 0 0.12440 0.12440 UNCH C3 7
2 4 2 7 1 9 1 0 0 0 0 0 0 -7.868400 -5.603090 14.463200 1XA 0 0.49460 0.49460 UNCH C4 8
3 8 1 10 1 14 1 19 1 0 0 0 0 -8.766390 -4.713510 15.290000 1XA 0 0.06100 0.06100 UNCH C5 9
3 2 1 5 1 9 1 11 1 0 0 0 0 -9.328300 -3.448070 14.604100 1XA 0 0.29100 0.29100 UNCH C6 10
3 10 1 12 1 15 1 17 1 0 0 0 0 -10.858500 -3.579240 14.819200 1XA 0 0.13820 0.13820 UNCH C7 11
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3 9 1 13 1 15 1 18 1 0 0 0 0 -10.057000 -5.461020 15.724800 1XA 0 0.13820 0.13820 UNCH C10 14
3 11 1 14 1 22 1 23 1 0 0 0 0 -10.926600 -4.285060 16.182800 1XA 0 0.00000 0.00000 UNCH C11 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.558300 -3.710310 11.571700 1XA 0 0.15000 0.15000 UNCH H2 16
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41 14 1 0 0 0 0 0 0 0 0 0 0 -9.928990 -6.253870 16.463400 1XA 0 0.00000 0.00000 UNCH H10 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.192270 -4.455500 16.190300 1XA 0 0.00000 0.00000 UNCH H5 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.954800 -4.646670 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 -6.866670 14.131800 1XA 0 0.15000 0.15000 UNCH H9 21
41 15 1 0 0 0 0 0 0 0 0 0 0 -11.944400 -4.579640 16.471399 1XA 0 0.00000 0.00000 UNCH H11 22
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.484500 -3.714430 17.005899 1XA 0 0.00000 0.00000 UNCH H11_ 23
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2 2 2 3 1 8 1 0 0 0 0 0 0 -10.331900 -4.690630 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 -5.166950 14.050300 1XA 0 -0.57000 -0.57000 UNCH O1 2
16 1 1 4 1 0 0 0 0 0 0 0 0 -10.248600 -3.442980 13.083700 1XA 0 -0.43000 -0.43000 UNCH O2 3
3 3 1 5 1 11 1 12 1 0 0 0 0 -8.934620 -3.219580 12.542700 1XA 0 0.28000 0.28000 UNCH C2 4
3 4 1 6 1 8 1 13 1 0 0 0 0 -7.973410 -4.238710 13.130200 1XA 0 0.00000 0.00000 UNCH C3 5
3 5 1 7 1 14 1 15 1 0 0 0 0 -7.523890 -4.032270 14.596000 1XA 0 0.00000 0.00000 UNCH C4 6
3 6 1 8 1 9 1 16 1 0 0 0 0 -8.095390 -5.431600 14.919200 1XA 0 0.18100 0.18100 UNCH C5 7
3 1 1 5 1 7 1 17 1 0 0 0 0 -8.931740 -5.330820 13.626800 1XA 0 0.05300 0.05300 UNCH C6 8
1 7 1 10 3 0 0 0 0 0 0 0 0 -8.810520 -5.542230 16.169701 1XA 0 0.37610 0.37610 UNCH C7 9
24 9 3 0 0 0 0 0 0 0 0 0 0 -9.351660 -5.626080 17.191601 1XA 0 -0.55710 -0.55710 UNCH N1 10
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.003450 -3.322950 11.454500 1XA 0 0.00000 0.00000 UNCH H1 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -8.626730 -2.194700 12.771600 1XA 0 0.00000 0.00000 UNCH H2 12
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.177470 -4.582620 12.461900 1XA 0 0.00000 0.00000 UNCH H3 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.443240 -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 -8.018480 -3.197270 15.107400 1XA 0 0.00000 0.00000 UNCH H5 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.323200 -6.209130 14.829200 1XA 0 0.00000 0.00000 UNCH H6 16
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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 -5.104790 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 -3.926340 15.050800 1XA 0 -0.08600 -0.08600 COMW C3 3
2 14 1 9 1 5 2 0 0 0 0 0 0 -7.903710 -3.003620 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 -3.302390 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 -4.485660 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 -5.402510 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 -5.087690 13.682900 1XA 0 -0.15160 -0.15160 COMW C8 8
2 3 1 4 1 8 2 0 0 0 0 0 0 -8.984370 -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 -2.928060 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 -1.883380 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 -6.689340 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 -5.513770 14.915500 1XA 0 0.15000 0.15000 COMW H13 13
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.961440 -2.076980 14.982300 1XA 0 0.15000 0.15000 COMW H14 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -5.923880 -2.601270 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 -7.652650 -6.323340 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 -3.164740 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 -7.833130 -2.382520 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 -5.003550 16.835501 1XA 0 -0.81000 -0.81000 COMW N11 2
2 1 1 15 1 4 2 0 0 0 0 0 0 -8.289110 -2.328210 14.629600 1XA 0 -0.30160 -0.30160 COMW C2 3
2 3 2 11 1 10 1 0 0 0 0 0 0 -8.978470 -3.497530 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 -5.551250 13.341300 1XA 0 -0.15000 -0.15000 COMW C4 5
2 5 2 17 1 7 1 0 0 0 0 0 0 -9.216290 -6.043580 12.050400 1XA 0 -0.15000 -0.15000 COMW C5 6
2 6 1 18 1 8 2 0 0 0 0 0 0 -8.500390 -5.294460 11.120000 1XA 0 -0.15000 -0.15000 COMW C6 7
2 7 2 19 1 9 1 0 0 0 0 0 0 -7.985240 -4.037510 11.450700 1XA 0 -0.15000 -0.15000 COMW C7 8
2 1 1 8 1 10 2 0 0 0 0 0 0 -8.217480 -3.561260 12.746900 1XA 0 -0.15160 -0.15160 COMW C8 9
2 4 1 5 1 9 2 0 0 0 0 0 0 -8.933820 -4.284660 13.700800 1XA 0 0.00000 0.00000 COMW C9 10
3 2 1 4 1 21 1 20 1 0 0 0 0 -9.664030 -3.850690 16.185600 1XA 0 0.45100 0.45100 COMW C10 11
3 2 1 27 1 26 1 25 1 0 0 0 0 -9.852690 -5.484180 17.936701 1XA 0 0.27000 0.27000 COMW C12 12
3 2 1 24 1 23 1 22 1 0 0 0 0 -7.682470 -4.667610 17.334600 1XA 0 0.27000 0.27000 COMW C13 13
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.294840 -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 -8.086130 -1.465220 15.249100 1XA 0 0.15000 0.15000 COMW H15 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.988140 -6.144420 14.066900 1XA 0 0.15000 0.15000 COMW H16 16
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41 8 1 0 0 0 0 0 0 0 0 0 0 -7.424940 -3.458220 10.724600 1XA 0 0.15000 0.15000 COMW H19 19
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25 2 1 3 1 11 1 0 0 0 0 0 0 -9.126260 -5.542710 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 -5.189040 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 -5.898410 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 -5.790510 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 -6.793470 16.181700 1XA 0 0.30010 0.30010 UNCH C3 6
2 5 1 8 2 9 1 0 0 0 0 0 0 -8.894870 -6.597780 16.147699 1XA 0 0.57700 0.57700 UNCH C4 7
15 7 2 0 0 0 0 0 0 0 0 0 0 -8.859640 -7.219890 17.218500 1XA 0 -0.57000 -0.57000 UNCH O4 8
3 7 1 10 1 11 1 20 1 0 0 0 0 -7.622530 -6.046910 15.469800 1XA 0 0.35100 0.35100 UNCH C5 9
56 9 1 0 0 0 0 0 0 0 0 0 0 -6.584060 -6.884350 15.750900 1XA 0 -0.29800 -0.29800 UNCH F5 10
3 1 1 9 1 22 1 29 1 0 0 0 0 -7.744130 -5.751580 13.964200 1XA 0 0.22500 0.22500 UNCH C6 11
25 13 1 14 1 22 1 0 0 0 0 0 0 -7.213070 -3.258170 13.498500 1XA 0 -0.58510 -0.58510 UNCH N1_ 12
3 12 1 30 1 31 1 32 1 0 0 0 0 -6.401230 -2.913510 12.339300 1XA 0 0.30010 0.30010 UNCH C1_ 13
2 12 1 15 2 16 1 0 0 0 0 0 0 -8.140660 -2.322920 13.935400 1XA 0 0.69000 0.69000 UNCH C2_ 14
15 14 2 0 0 0 0 0 0 0 0 0 0 -8.319480 -1.270460 13.321900 1XA 0 -0.57000 -0.57000 UNCH O2_ 15
25 14 1 17 1 18 1 0 0 0 0 0 0 -8.848620 -2.636230 15.093100 1XA 0 -0.42010 -0.42010 UNCH N3_ 16
3 16 1 33 1 34 1 35 1 0 0 0 0 -9.928080 -1.733990 15.459700 1XA 0 0.30010 0.30010 UNCH C3_ 17
2 16 1 19 2 20 1 0 0 0 0 0 0 -8.503060 -3.611940 16.037800 1XA 0 0.57700 0.57700 UNCH C4_ 18
15 18 2 0 0 0 0 0 0 0 0 0 0 -9.133920 -3.732750 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 -4.528990 15.687700 1XA 0 0.35100 0.35100 UNCH C5_ 20
56 20 1 0 0 0 0 0 0 0 0 0 0 -6.302920 -4.266110 16.568001 1XA 0 -0.29800 -0.29800 UNCH F5_ 21
3 11 1 12 1 20 1 36 1 0 0 0 0 -6.869320 -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 -9.892460 -4.268280 12.015100 1XA 0 0.00000 0.00000 UNCH H11 23
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.844520 -5.992870 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 -5.044510 11.588300 1XA 0 0.00000 0.00000 UNCH H13 25
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41 6 1 0 0 0 0 0 0 0 0 0 0 -11.211900 -6.600540 17.254801 1XA 0 0.00000 0.00000 UNCH H33 28
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.241820 -6.503320 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 -7.007110 -2.403630 11.584500 1XA 0 0.00000 0.00000 UNCH H15 31
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.977330 -3.819920 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 -9.520350 -0.955070 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 -2.270540 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 -7.628260 -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 -8.331920 -4.138680 14.937600 1XA 0 0.59000 0.59000 CONF C1 2
3 8 1 7 1 6 1 4 1 0 0 0 0 -9.647480 -3.033860 13.209300 1XA 0 0.28000 0.28000 CONF C2 3
16 2 1 3 1 0 0 0 0 0 0 0 0 -9.214770 -4.210270 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 -3.354390 12.437900 1XA 0 0.00000 0.00000 CONF H3 8
43 5 1 0 0 0 0 0 0 0 0 0 0 -8.533120 -6.177520 15.050700 1XA 0 0.37000 0.37000 CONF H4 9
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.434890 -5.477780 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 -9.664270 -3.786810 15.299800 1XA 0 -1.01200 -1.01200 CONL N1 1
32 4 1 5 1 8 1 9 1 0 0 0 0 -8.457010 -4.967910 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 -4.700490 14.553700 1XA 0 0.50300 0.50300 CONL C1 3
3 2 1 3 1 12 1 13 1 0 0 0 0 -9.739440 -5.737620 13.894300 1XA 0 0.50300 0.50300 CONL C2 4
3 1 1 2 1 14 1 15 1 0 0 0 0 -8.403940 -3.778240 14.479200 1XA 0 1.00600 1.00600 CONL C3 5
3 1 1 16 1 17 1 18 1 0 0 0 0 -9.390540 -4.314530 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 -2.379990 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 -5.858680 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 -4.097070 13.797000 1XA 0 0.00000 0.00000 CONL H1 10
41 3 1 0 0 0 0 0 0 0 0 0 0 -11.364500 -5.121730 15.253700 1XA 0 0.00000 0.00000 CONL H2 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.478150 -6.532240 14.601600 1XA 0 0.00000 0.00000 CONL H3 12
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.165500 -6.177290 12.987500 1XA 0 0.00000 0.00000 CONL H4 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.361090 -2.858370 13.884800 1XA 0 0.00000 0.00000 CONL H5 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.529180 -3.841630 15.136600 1XA 0 0.00000 0.00000 CONL H6 15
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 -8.685190 -3.637090 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 -9.507280 -1.753810 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 -2.444810 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 -1.988910 14.431300 1XA 0 0.00000 0.00000 CONL H14 21
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.376380 -3.878540 11.949800 1XA 0 0.00000 0.00000 CONL H15 22
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.536220 -5.387130 11.451000 1XA 0 0.00000 0.00000 CONL H16 23
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.578530 -3.930710 11.894000 1XA 0 0.00000 0.00000 CONL H17 24
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.185240 -6.180710 14.775000 1XA 0 0.00000 0.00000 CONL H18 25
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.341320 -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 -7.335650 -6.722950 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 -9.514570 -2.863580 12.636300 1XA 0 1.08960 1.08960 CORD S1 1
57 4 1 0 0 0 0 0 0 0 0 0 0 -7.435440 -0.847718 13.073300 1XA 0 -0.29000 -0.29000 CORD CL1 2
3 1 1 15 1 16 1 17 1 0 0 0 0 -9.376150 -2.150430 11.011100 1XA 0 0.10520 0.10520 CORD C1 3
3 1 1 2 1 5 1 18 1 0 0 0 0 -7.967420 -2.508230 13.463100 1XA 0 0.45620 0.45620 CORD C2 4
2 4 1 6 1 14 2 0 0 0 0 0 0 -8.127910 -2.672280 14.959800 1XA 0 0.42280 0.42280 CORD C3 5
2 5 1 7 2 11 1 0 0 0 0 0 0 -8.439120 -4.017030 15.525000 1XA 0 0.08620 0.08620 CORD C4 6
2 6 2 8 1 19 1 0 0 0 0 0 0 -7.983550 -5.203880 14.940500 1XA 0 -0.15000 -0.15000 CORD C5 7
2 7 1 9 2 20 1 0 0 0 0 0 0 -8.296890 -6.433960 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 -6.483520 16.696699 1XA 0 -0.15000 -0.15000 CORD C7 9
2 9 1 11 2 22 1 0 0 0 0 0 0 -9.494820 -5.303890 17.291000 1XA 0 -0.15000 -0.15000 CORD C8 10
2 6 1 10 2 23 1 0 0 0 0 0 0 -9.186120 -4.073380 16.709999 1XA 0 -0.15000 -0.15000 CORD C9 11
15 1 2 0 0 0 0 0 0 0 0 0 0 -9.573060 -4.301140 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 -2.186170 13.311500 1XA 0 -0.65000 -0.65000 CORD O2 13
15 5 2 0 0 0 0 0 0 0 0 0 0 -7.979170 -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 -9.420550 -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 -2.507510 10.417800 1XA 0 0.00000 0.00000 CORD H12 16
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.442440 -2.484770 10.555200 1XA 0 0.00000 0.00000 CORD H13 17
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.197030 -3.176550 13.074000 1XA 0 0.00000 0.00000 CORD H21 18
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.384060 -5.211410 14.036000 1XA 0 0.15000 0.15000 CORD H51 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.952730 -7.357930 15.066400 1XA 0 0.15000 0.15000 CORD H61 20
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.295760 -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 -9.535870 -3.157410 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 -9.000490 -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 -4.194760 14.741600 1XA 0 -0.75000 -0.75000 CORW S23 2
2 1 2 2 1 4 1 0 0 0 0 0 0 -9.486520 -3.938180 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 -7.337380 -4.963290 14.508400 1XA 0 0.57000 0.57000 CORW C23 5
15 5 2 0 0 0 0 0 0 0 0 0 0 -6.653590 -5.873230 14.973400 1XA 0 -0.57000 -0.57000 CORW O13 6
43 4 1 0 0 0 0 0 0 0 0 0 0 -9.055610 -5.627720 15.284400 1XA 0 0.37000 0.37000 CORW H13 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.883470 -4.171380 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 -7.677950 -6.130970 12.837600 1XA 0 -0.24250 -0.24250 UNCH S1 1
15 10 2 0 0 0 0 0 0 0 0 0 0 -5.415910 -4.929030 13.490000 1XA 0 -0.57000 -0.57000 UNCH O1 2
25 8 1 10 1 11 1 0 0 0 0 0 0 -7.407570 -4.000930 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 -5.753120 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 -4.994510 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 -3.862270 14.691600 1XA 0 -0.15000 -0.15000 UNCH C3 6
2 6 2 8 1 15 1 0 0 0 0 0 0 -9.787290 -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 -8.796440 -4.233580 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 -5.358880 13.491100 1XA 0 0.10150 0.10150 UNCH C6 9
2 1 1 2 2 3 1 0 0 0 0 0 0 -6.632180 -4.915580 13.597500 1XA 0 0.77100 0.77100 UNCH C7 10
3 3 1 16 1 17 1 18 1 0 0 0 0 -6.828470 -2.895320 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 -6.629880 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 -5.283270 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 -3.281320 15.159200 1XA 0 0.15000 0.15000 UNCH H3 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.552860 -2.595650 15.444900 1XA 0 0.15000 0.15000 UNCH H4 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.209960 -1.955070 14.607400 1XA 0 0.00000 0.00000 UNCH H11 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.091410 -2.975270 16.075899 1XA 0 0.00000 0.00000 UNCH H22 17
41 11 1 0 0 0 0 0 0 0 0 0 0 -5.738390 -2.897840 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 -6.039630 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 -4.061990 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 -4.571170 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 -9.549110 -3.846540 14.375700 1XA 0 0.30010 0.30010 CHGB C2 5
43 4 1 0 0 0 0 0 0 0 0 0 0 -9.753220 -2.838960 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 -2.835880 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 -4.300030 13.722600 1XA 0 0.00000 0.00000 CHGB H22 8
3 5 1 12 1 11 1 10 1 0 0 0 0 -8.218890 -4.620860 14.334300 1XA 0 0.30010 0.30010 CHGB C2A 9
25 9 1 14 1 13 1 0 0 0 0 0 0 -7.678720 -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 -5.631520 14.726300 1XA 0 0.00000 0.00000 CHGB H21A 11
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.465220 -4.167370 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 -3.896230 12.269400 1XA 0 0.79600 0.79600 CHGB C1A 13
43 10 1 0 0 0 0 0 0 0 0 0 0 -8.014780 -5.628440 12.513000 1XA 0 0.37000 0.37000 CHGB H1A 14
49 13 2 0 0 0 0 0 0 0 0 0 0 -6.456150 -2.427770 12.873600 1XA 0 -0.75000 -0.75000 CHGB S1A 15
51 13 1 0 0 0 0 0 0 0 0 0 0 -6.816910 -4.405410 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 -8.689130 -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 -9.966180 -4.170890 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 -2.092940 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 -1.901610 13.191800 1XA 0 0.06500 0.06500 COSW C5 5
2 5 2 17 1 7 1 0 0 0 0 0 0 -9.074210 -1.832350 13.097900 1XA 0 -0.15000 -0.15000 COSW C6 6
2 6 1 18 1 8 2 0 0 0 0 0 0 -8.141070 -1.930720 14.203300 1XA 0 -0.15000 -0.15000 COSW C7 7
2 1 1 7 2 13 1 0 0 0 0 0 0 -8.009340 -2.976610 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 -5.320490 15.046800 1XA 0 -0.43000 -0.43000 COSW O9 9
3 9 1 21 1 20 1 19 1 0 0 0 0 -9.959890 -6.521860 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 -1.688820 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 -1.500280 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 -2.935210 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 -3.911470 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 -1.370940 14.647500 1XA 0 0.15000 0.15000 COSW H4 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.607910 -1.623810 12.135100 1XA 0 0.15000 0.15000 COSW H6 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.489120 -1.066170 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 -7.353080 14.773100 1XA 0 0.00000 0.00000 COSW H101 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.233930 -6.704520 15.588500 1XA 0 0.00000 0.00000 COSW H102 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.466650 -6.469530 13.814600 1XA 0 0.00000 0.00000 COSW H103 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.412760 -2.025120 16.171700 1XA 0 0.15000 0.15000 COSW H13 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.293760 -4.851170 16.970501 1XA 0 0.15000 0.15000 COSW H1 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.979340 -3.790470 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 -7.241260 -4.935670 17.608500 1XA 0 -0.72900 -0.72900 UNCH N1 1
25 1 1 3 1 15 1 0 0 0 0 0 0 -7.460740 -3.568480 17.334200 1XA 0 -0.42100 -0.42100 UNCH N2 2
2 2 1 4 1 12 2 0 0 0 0 0 0 -8.082550 -3.146940 16.160801 1XA 0 0.50000 0.50000 UNCH C3 3
25 3 1 5 1 16 1 0 0 0 0 0 0 -8.427260 -4.211140 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 -4.349760 14.111900 1XA 0 0.11700 0.11700 UNCH C5 5
2 5 2 7 1 17 1 0 0 0 0 0 0 -9.215980 -5.664050 13.644700 1XA 0 -0.15000 -0.15000 UNCH C6 6
2 6 1 8 2 18 1 0 0 0 0 0 0 -9.827070 -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 -4.867160 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 -3.558460 12.083400 1XA 0 -0.15000 -0.15000 UNCH C9 9
2 5 1 9 2 20 1 0 0 0 0 0 0 -9.520480 -3.302140 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 -5.177550 10.122300 1XA 0 -0.17700 -0.17700 UNCH CL1 11
49 3 2 0 0 0 0 0 0 0 0 0 0 -8.284770 -1.508770 15.951500 1XA 0 -0.38000 -0.38000 UNCH S1 12
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.691150 -5.155790 18.502300 1XA 0 0.36000 0.36000 UNCH H11 13
43 1 1 0 0 0 0 0 0 0 0 0 0 -6.237320 -5.070840 17.762400 1XA 0 0.36000 0.36000 UNCH H21 14
43 2 1 0 0 0 0 0 0 0 0 0 0 -7.171090 -2.839480 17.987000 1XA 0 0.37000 0.37000 UNCH H2 15
43 4 1 0 0 0 0 0 0 0 0 0 0 -8.139660 -5.068790 15.827900 1XA 0 0.37000 0.37000 UNCH H4 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.865590 -6.506770 14.236400 1XA 0 0.15000 0.15000 UNCH H6 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.940450 -6.950070 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 -2.726330 11.481000 1XA 0 0.15000 0.15000 UNCH H9 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.430150 -2.265590 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 -0.115996 0.690766 9.640520 1XA 0 -0.90000 -0.90000 CHGB O1 1
18 6 1 0 0 0 0 0 0 0 0 0 0 0.944524 2.410390 10.684000 1XA 0 -0.90000 -0.90000 CHGB O2 2
15 7 2 0 0 0 0 0 0 0 0 0 0 -0.908865 -0.166003 12.097300 1XA 0 -0.57000 -0.57000 CHGB O3 3
15 10 2 0 0 0 0 0 0 0 0 0 0 0.747765 2.797220 15.818000 1XA 0 -0.57000 -0.57000 CHGB O4 4
16 10 1 11 1 0 0 0 0 0 0 0 0 -0.401014 1.226320 16.890499 1XA 0 -0.65000 -0.65000 CHGB O5 5
2 1 2 2 1 7 1 0 0 0 0 0 0 0.236762 1.352610 10.665800 1XA 0 0.94700 0.94700 CHGB C1 6
2 3 2 6 1 8 1 0 0 0 0 0 0 -0.219825 0.854315 12.043500 1XA 0 0.36200 0.36200 CHGB C2 7
3 7 1 9 1 12 1 13 1 0 0 0 0 0.201834 1.644280 13.260300 1XA 0 0.06100 0.06100 CHGB C3 8
3 8 1 10 1 14 1 15 1 0 0 0 0 -0.335879 1.011590 14.536700 1XA 0 0.06100 0.06100 CHGB C4 9
2 4 2 5 1 9 1 0 0 0 0 0 0 0.073649 1.783810 15.756000 1XA 0 0.65900 0.65900 CHGB C5 10
42 5 1 0 0 0 0 0 0 0 0 0 0 -0.062431 1.823640 17.588200 1XA 0 0.50000 0.50000 CHGB H5 11
41 8 1 0 0 0 0 0 0 0 0 0 0 1.296630 1.680250 13.290600 1XA 0 0.00000 0.00000 CHGB H31 12
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.176114 2.667920 13.159700 1XA 0 0.00000 0.00000 CHGB H32 13
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.431010 0.976821 14.505500 1XA 0 0.00000 0.00000 CHGB H41 14
41 9 1 0 0 0 0 0 0 0 0 0 0 0.043402 -0.011961 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 -3.592840 14.276500 1XA 0 -0.63300 -0.63300 COTR O21 2
31 1 1 10 2 6 1 0 0 0 0 0 0 -8.363420 -4.572410 9.911370 1XA 0 0.57100 0.57100 COTR N11 3
31 2 1 8 1 5 2 0 0 0 0 0 0 -9.432060 -3.983070 14.019500 1XA 0 0.86800 0.86800 COTR N21 4
25 4 2 11 1 0 0 0 0 0 0 0 0 -8.525450 -4.215080 14.884700 1XA 0 -0.38600 -0.38600 COTR N31 5
2 3 1 17 1 7 2 0 0 0 0 0 0 -9.632440 -4.151110 10.267500 1XA 0 -0.06050 -0.06050 COTR C21 6
2 6 2 18 1 8 1 0 0 0 0 0 0 -9.989470 -3.956520 11.602800 1XA 0 -0.15000 -0.15000 COTR C31 7
2 4 1 7 1 9 2 0 0 0 0 0 0 -9.047660 -4.190790 12.611200 1XA 0 -0.02800 -0.02800 COTR C41 8
2 8 2 19 1 10 1 0 0 0 0 0 0 -7.760580 -4.617180 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 -4.801070 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 -4.029330 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 -8.907060 -2.622160 18.212799 1XA 0 -0.15000 -0.15000 COTR C91 13
2 13 2 23 1 15 1 0 0 0 0 0 0 -9.412980 -3.684760 18.959999 1XA 0 -0.15000 -0.15000 COTR C101 14
2 14 1 24 1 16 2 0 0 0 0 0 0 -9.630620 -4.921410 18.354401 1XA 0 -0.15000 -0.15000 COTR C111 15
2 11 1 15 2 25 1 0 0 0 0 0 0 -9.344870 -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 -3.997320 9.422580 1XA 0 0.15000 0.15000 COTR H21 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.998600 -3.624330 11.840100 1XA 0 0.15000 0.15000 COTR H31 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.998040 -4.810910 13.015100 1XA 0 0.15000 0.15000 COTR H51 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.478610 -5.126290 10.548700 1XA 0 0.15000 0.15000 COTR H61 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.224740 -1.964150 16.282101 1XA 0 0.15000 0.15000 COTR H81 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.735630 -1.658110 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 -3.549020 20.015200 1XA 0 0.15000 0.15000 COTR H101 23
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.023600 -5.750790 18.936899 1XA 0 0.15000 0.15000 COTR H111 24
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.514250 -6.061790 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 -9.963280 -2.655410 19.029900 1XA 0 0.23000 0.23000 UNCH C1 1
2 3 2 4 1 5 1 0 0 0 0 0 0 -8.996710 -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 -4.641750 17.047501 1XA 0 -0.57000 -0.57000 UNCH O3 3
49 1 1 2 1 0 0 0 0 0 0 0 0 -8.552090 -2.640330 17.904900 1XA 0 -0.37100 -0.37100 UNCH S2 4
49 2 1 6 1 0 0 0 0 0 0 0 0 -7.825330 -4.319550 15.604700 1XA 0 -0.14100 -0.14100 UNCH S4 5
49 5 1 10 1 0 0 0 0 0 0 0 0 -8.852320 -5.589800 14.358600 1XA 0 0.00000 0.00000 UNCH S5 6
41 1 1 0 0 0 0 0 0 0 0 0 0 -9.848860 -1.850360 19.760799 1XA 0 0.00000 0.00000 UNCH H11 7
41 1 1 0 0 0 0 0 0 0 0 0 0 -10.895400 -2.493350 18.481701 1XA 0 0.00000 0.00000 UNCH H12 8
41 1 1 0 0 0 0 0 0 0 0 0 0 -10.016900 -3.605310 19.568899 1XA 0 0.00000 0.00000 UNCH H13 9
49 6 1 11 1 0 0 0 0 0 0 0 0 -9.915520 -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 -8.753860 -4.014620 11.826600 1XA 0 0.85200 0.85200 UNCH C3B 11
15 11 2 0 0 0 0 0 0 0 0 0 0 -7.711520 -4.632760 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 -7.826210 -2.667010 9.660750 1XA 0 0.23000 0.23000 UNCH C1B 14
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.963820 -1.872290 8.922590 1XA 0 0.00000 0.00000 UNCH H11B 15
41 14 1 0 0 0 0 0 0 0 0 0 0 -6.899230 -2.473040 10.207400 1XA 0 0.00000 0.00000 UNCH H12B 16
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.745050 -3.619820 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 -8.166530 -3.074770 13.231100 1XA 0 -0.69600 -0.69600 UNCH N2 1
2 1 2 7 1 17 1 0 0 0 0 0 0 -8.226390 -4.065820 14.043200 1XA 0 0.39000 0.39000 UNCH C1 2
3 1 1 4 1 5 1 6 1 0 0 0 0 -6.860530 -2.756190 12.623900 1XA 0 0.24600 0.24600 UNCH C3 3
3 3 1 8 1 9 1 10 1 0 0 0 0 -6.357480 -3.924700 11.767400 1XA 0 0.00000 0.00000 UNCH C4 4
3 3 1 11 1 12 1 13 1 0 0 0 0 -5.837510 -2.372410 13.700100 1XA 0 0.00000 0.00000 UNCH C5 5
3 3 1 14 1 15 1 16 1 0 0 0 0 -7.102230 -1.541400 11.713200 1XA 0 0.00000 0.00000 UNCH C6 6
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41 4 1 0 0 0 0 0 0 0 0 0 0 -6.124190 -4.805200 12.375400 1XA 0 0.00000 0.00000 UNCH H41 8
41 4 1 0 0 0 0 0 0 0 0 0 0 -5.445350 -3.651640 11.225000 1XA 0 0.00000 0.00000 UNCH H42 9
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41 5 1 0 0 0 0 0 0 0 0 0 0 -6.220810 -1.569120 14.339600 1XA 0 0.00000 0.00000 UNCH H51 11
41 5 1 0 0 0 0 0 0 0 0 0 0 -5.592790 -3.218810 14.350500 1XA 0 0.00000 0.00000 UNCH H52 12
41 5 1 0 0 0 0 0 0 0 0 0 0 -4.901030 -2.026700 13.248100 1XA 0 0.00000 0.00000 UNCH H53 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.179880 -1.226910 11.212500 1XA 0 0.00000 0.00000 UNCH H61 14
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2 2 1 18 2 19 1 0 0 0 0 0 0 -9.541610 -4.401580 14.666800 1XA 0 0.39000 0.39000 UNCH C1B 17
25 17 2 20 1 0 0 0 0 0 0 0 0 -9.601460 -5.392630 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 -3.752250 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
3 20 1 27 1 28 1 29 1 0 0 0 0 -11.930500 -6.094980 15.009900 1XA 0 0.00000 0.00000 UNCH C5B 22
3 20 1 30 1 31 1 32 1 0 0 0 0 -10.665800 -6.926000 16.996700 1XA 0 0.00000 0.00000 UNCH C6B 23
41 21 1 0 0 0 0 0 0 0 0 0 0 -11.643800 -3.662190 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 -4.815750 17.485001 1XA 0 0.00000 0.00000 UNCH H42B 25
41 21 1 0 0 0 0 0 0 0 0 0 0 -10.657000 -4.240870 17.679001 1XA 0 0.00000 0.00000 UNCH H43B 26
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41 22 1 0 0 0 0 0 0 0 0 0 0 -12.175200 -5.248580 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 -6.440690 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 -7.240490 17.497499 1XA 0 0.00000 0.00000 UNCH H61B 30
41 23 1 0 0 0 0 0 0 0 0 0 0 -10.284900 -7.779290 16.423500 1XA 0 0.00000 0.00000 UNCH H62B 31
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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 -9.790130 -3.193770 17.214500 1XA 0 -0.15000 -0.15000 COVX C2 2
2 2 1 4 2 21 1 0 0 0 0 0 0 -9.749460 -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 -3.170120 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 -4.053960 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 -4.504930 16.711201 1XA 0 -0.15000 -0.15000 COVX C6 6
25 1 1 24 1 25 1 0 0 0 0 0 0 -10.781200 -4.587780 18.934500 1XA 0 -0.90000 -0.90000 COVX N7 7
49 4 1 9 2 10 2 11 1 0 0 0 0 -10.697900 -2.576690 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 -2.278320 12.974600 1XA 0 -0.65000 -0.65000 COVX O9 9
15 8 2 0 0 0 0 0 0 0 0 0 0 -9.683480 -1.552790 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 -3.911810 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 -4.244840 12.339400 1XA 0 0.81900 0.81900 COVX C12 12
25 12 2 14 1 0 0 0 0 0 0 0 0 -8.593220 -4.750580 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 -5.227730 11.066800 1XA 0 0.16650 0.16650 COVX C14 14
2 14 2 16 1 27 1 0 0 0 0 0 0 -6.471960 -5.238280 12.146900 1XA 0 -0.15000 -0.15000 COVX C15 15
2 15 1 17 2 19 1 0 0 0 0 0 0 -6.962560 -4.738680 13.338800 1XA 0 0.16650 0.16650 COVX C16 16
25 12 1 16 2 0 0 0 0 0 0 0 0 -8.213740 -4.255230 13.453900 1XA 0 -0.62000 -0.62000 COVX N17 17
3 14 1 28 1 29 1 30 1 0 0 0 0 -6.892690 -5.768690 9.740720 1XA 0 0.14350 0.14350 COVX C18 18
3 16 1 31 1 32 1 33 1 0 0 0 0 -6.105910 -4.730620 14.568400 1XA 0 0.14350 0.14350 COVX C19 19
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.011750 -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 -8.954410 -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 -4.401280 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 -5.220220 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 -3.997170 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 -4.916210 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 -3.969690 11.525600 1XA 0 0.42000 0.42000 COVX H11 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -5.464450 -5.627420 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 -5.675280 8.995770 1XA 0 0.00000 0.00000 COVX H181 28
41 18 1 0 0 0 0 0 0 0 0 0 0 -6.633760 -6.828120 9.832020 1XA 0 0.00000 0.00000 COVX H182 29
41 18 1 0 0 0 0 0 0 0 0 0 0 -6.021140 -5.214890 9.378060 1XA 0 0.00000 0.00000 COVX H183 30
41 19 1 0 0 0 0 0 0 0 0 0 0 -5.820770 -5.752460 14.837200 1XA 0 0.00000 0.00000 COVX H191 31
41 19 1 0 0 0 0 0 0 0 0 0 0 -6.643580 -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 -5.202130 -4.137970 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 -6.848370 -5.810920 14.413300 1XA 0 1.17120 1.17120 UNCH P1 1
16 1 1 17 1 0 0 0 0 0 0 0 0 -6.173220 -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 -6.692170 -7.057780 13.607500 1XA 0 -0.95000 -0.95000 UNCH O2 3
18 1 1 0 0 0 0 0 0 0 0 0 0 -6.388020 -5.628190 15.842800 1XA 0 -0.95000 -0.95000 UNCH O3 4
16 12 1 28 1 0 0 0 0 0 0 0 0 -7.915480 -2.691660 13.606600 1XA 0 -0.53250 -0.53250 UNCH O12 5
32 7 1 8 1 19 1 20 1 0 0 0 0 -8.781610 -4.356870 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 -5.264570 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 -4.331980 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 -3.071920 17.418800 1XA 0 0.00000 0.00000 UNCH C3 9
3 8 1 25 1 26 1 27 1 0 0 0 0 -10.145000 -5.580590 17.427401 1XA 0 0.00000 0.00000 UNCH C4 10
2 7 1 12 2 16 1 0 0 0 0 0 0 -9.298250 -4.624140 13.336800 1XA 0 -0.14350 -0.14350 UNCH C11 11
2 5 1 11 2 13 1 0 0 0 0 0 0 -8.902280 -3.348250 12.924600 1XA 0 0.08250 0.08250 UNCH C12 12
2 12 1 14 2 29 1 0 0 0 0 0 0 -9.493020 -2.711390 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 -3.371280 11.122600 1XA 0 -0.15000 -0.15000 UNCH C14 14
2 14 1 16 2 31 1 0 0 0 0 0 0 -10.881300 -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 -5.281480 12.598200 1XA 0 -0.15000 -0.15000 UNCH C16 16
42 2 1 0 0 0 0 0 0 0 0 0 0 -5.234260 -4.845740 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 -8.472960 -3.432060 15.462000 1XA 0 0.45000 0.45000 UNCH H3 19
44 6 1 0 0 0 0 0 0 0 0 0 0 -7.950490 -4.699030 16.345600 1XA 0 0.45000 0.45000 UNCH H4 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -10.863900 -4.285920 15.844000 1XA 0 0.00000 0.00000 UNCH H5 21
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.967900 -3.003200 17.999599 1XA 0 0.00000 0.00000 UNCH H6 22
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41 9 1 0 0 0 0 0 0 0 0 0 0 -9.201030 -3.060370 18.121099 1XA 0 0.00000 0.00000 UNCH H8 24
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.058200 -5.550340 18.031601 1XA 0 0.00000 0.00000 UNCH H9 25
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.186500 -6.490680 16.821400 1XA 0 0.00000 0.00000 UNCH H10 26
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.293850 -5.669530 18.111601 1XA 0 0.00000 0.00000 UNCH H11 27
42 5 1 0 0 0 0 0 0 0 0 0 0 -7.086430 -3.209240 13.427100 1XA 0 0.45000 0.45000 UNCH H12 28
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.172690 -1.716030 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 -2.889660 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 -5.176280 10.921700 1XA 0 0.15000 0.15000 UNCH H15 31
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.609700 -6.288290 12.863800 1XA 0 0.15000 0.15000 UNCH H16 32
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 -9.081630 -4.931620 14.083300 1XA 0 1.24240 1.24240 COXB P1 1
49 9 1 8 1 0 0 0 0 0 0 0 0 -7.144150 -3.636440 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 -1.161980 16.161100 1XA 0 -0.46000 -0.46000 COXB S2 3
49 10 1 8 1 0 0 0 0 0 0 0 0 -8.046570 -2.191110 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 -4.538630 14.714800 1XA 0 -0.70000 -0.70000 COXB O1 5
16 1 1 11 1 0 0 0 0 0 0 0 0 -9.221260 -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 -8.564510 -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 -7.718940 -3.774470 14.259100 1XA 0 0.46000 0.46000 COXB C1 8
3 2 1 3 1 15 1 14 1 0 0 0 0 -8.565910 -2.844780 16.747700 1XA 0 0.46000 0.46000 COXB C2 9
3 3 1 4 1 23 1 16 1 0 0 0 0 -9.368870 -1.530610 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 -5.879150 12.053100 1XA 0 0.28000 0.28000 COXB C4 11
3 7 1 22 1 21 1 20 1 0 0 0 0 -7.388970 -6.946990 14.078800 1XA 0 0.28000 0.28000 COXB C5 12
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.877820 -4.199570 13.703900 1XA 0 0.00000 0.00000 COXB H1 13
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.341130 -2.779160 17.816799 1XA 0 0.00000 0.00000 COXB H21 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.474780 -3.442230 16.668699 1XA 0 0.00000 0.00000 COXB H22 15
41 10 1 0 0 0 0 0 0 0 0 0 0 -10.259300 -2.159660 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 -6.104830 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 -5.255050 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 -6.816750 12.604300 1XA 0 0.00000 0.00000 COXB H43 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.392360 -8.016240 14.305600 1XA 0 0.00000 0.00000 COXB H51 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.508880 -6.496160 14.543000 1XA 0 0.00000 0.00000 COXB H52 21
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.341530 -6.821140 12.994400 1XA 0 0.00000 0.00000 COXB H53 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.673590 -0.580465 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 -8.696590 -6.005180 13.021900 1XA 0 -0.37100 -0.37100 COXZ S1 1
49 7 2 0 0 0 0 0 0 0 0 0 0 -6.646380 -5.978150 15.187300 1XA 0 -0.38000 -0.38000 COXZ S2 2
25 7 1 6 2 0 0 0 0 0 0 0 0 -8.559440 -4.091690 14.910500 1XA 0 -0.66100 -0.66100 COXZ N1 3
25 14 1 12 1 6 1 0 0 0 0 0 0 -7.402330 -2.728380 13.314200 1XA 0 -0.85000 -0.85000 COXZ N2 4
25 15 1 13 1 6 1 0 0 0 0 0 0 -8.777920 -1.820110 14.789000 1XA 0 -0.85000 -0.85000 COXZ N3 5
2 3 2 4 1 5 1 0 0 0 0 0 0 -8.241370 -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 -7.973040 -5.244660 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 -6.325680 14.475300 1XA 0 0.00000 0.00000 COXZ H1 9
41 8 1 0 0 0 0 0 0 0 0 0 0 -11.041300 -6.434690 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 -4.844660 13.491800 1XA 0 0.00000 0.00000 COXZ H3 11
43 4 1 0 0 0 0 0 0 0 0 0 0 -7.132420 -3.534670 12.760100 1XA 0 0.40000 0.40000 COXZ H4 12
43 5 1 0 0 0 0 0 0 0 0 0 0 -8.083860 -1.087950 14.890300 1XA 0 0.40000 0.40000 COXZ H5 13
43 4 1 0 0 0 0 0 0 0 0 0 0 -7.725310 -1.975250 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 -1.965820 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 -8.299320 -7.239100 15.037400 1XA 0 -0.57000 -0.57000 COYK O1 1
15 7 2 0 0 0 0 0 0 0 0 0 0 -11.369200 -7.207870 13.026200 1XA 0 -0.57000 -0.57000 COYK O2 2
25 6 1 16 1 17 1 0 0 0 0 0 0 -7.664170 -6.296570 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 -5.161340 12.075400 1XA 0 -0.80000 -0.80000 COYK N2 4
25 8 1 9 1 10 1 0 0 0 0 0 0 -9.785080 -4.222250 14.323900 1XA 0 -0.43800 -0.43800 COYK N3 5
2 1 2 3 1 9 1 0 0 0 0 0 0 -8.551380 -6.489570 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 -5.114830 15.321200 1XA 0 -0.03100 -0.03100 COYK C3 8
3 5 1 6 1 7 1 8 1 0 0 0 0 -9.817650 -5.701250 14.036100 1XA 0 0.16900 0.16900 COYK C4 9
2 5 1 11 2 15 1 0 0 0 0 0 0 -8.567040 -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 -8.330580 -2.388320 13.803000 1XA 0 -0.15000 -0.15000 COYK C6 11
2 11 1 13 2 23 1 0 0 0 0 0 0 -7.164590 -1.633970 13.957400 1XA 0 -0.15000 -0.15000 COYK C7 12
2 12 2 14 1 24 1 0 0 0 0 0 0 -6.211180 -2.016790 14.894600 1XA 0 -0.15000 -0.15000 COYK C8 13
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43 3 1 0 0 0 0 0 0 0 0 0 0 -6.747000 -6.708140 13.186000 1XA 0 0.37000 0.37000 COYK H11 16
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41 8 1 0 0 0 0 0 0 0 0 0 0 -11.433900 -5.004910 15.426500 1XA 0 0.10000 0.10000 COYK H13 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.824390 -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 -9.070260 -2.068270 13.072600 1XA 0 0.15000 0.15000 COYK H6 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.006640 -0.746466 13.350300 1XA 0 0.15000 0.15000 COYK H7 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.303550 -1.432430 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 -4.771970 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 -7.218740 -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 -7.887980 -2.793240 14.840200 1XA 0 -0.11100 -0.11100 UNCH N1 2
15 5 2 0 0 0 0 0 0 0 0 0 0 -9.719110 -2.666580 16.306700 1XA 0 -0.57000 -0.57000 UNCH O1 3
15 12 2 0 0 0 0 0 0 0 0 0 0 -6.336450 -3.723960 13.341400 1XA 0 -0.57000 -0.57000 UNCH O2 4
2 2 1 3 2 6 1 0 0 0 0 0 0 -9.069780 -3.191670 15.421300 1XA 0 0.54380 0.54380 UNCH C1 5
2 5 1 7 2 11 1 0 0 0 0 0 0 -9.406760 -4.467270 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 -5.293420 14.973900 1XA 0 -0.15000 -0.15000 UNCH C3 7
2 7 1 9 2 16 1 0 0 0 0 0 0 -10.543000 -6.472390 14.222800 1XA 0 -0.15000 -0.15000 UNCH C4 8
2 8 2 10 1 17 1 0 0 0 0 0 0 -9.510130 -6.795250 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 -5.945120 13.146200 1XA 0 -0.15000 -0.15000 UNCH C6 10
2 6 1 10 2 12 1 0 0 0 0 0 0 -8.391130 -4.784740 13.895300 1XA 0 0.08620 0.08620 UNCH C7 11
2 2 1 4 2 11 1 0 0 0 0 0 0 -7.390770 -3.716510 13.949400 1XA 0 0.54380 0.54380 UNCH C8 12
43 1 1 0 0 0 0 0 0 0 0 0 0 -6.214890 -1.792460 15.111800 1XA 0 0.36000 0.36000 UNCH H5 13
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.417530 -1.416530 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 -7.152620 14.337900 1XA 0 0.15000 0.15000 UNCH H2 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.569460 -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 -7.610430 -6.183900 12.455300 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 -4.946180 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 -3.366060 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 -2.447190 16.197500 1XA 0 -0.33810 -0.33810 UNCH N31 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -8.834910 -2.966730 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 -4.269270 15.877600 1XA 0 0.32510 0.32510 UNCH C51 5
2 5 1 7 2 11 1 0 0 0 0 0 0 -7.653530 -5.104490 15.404500 1XA 0 0.05300 0.05300 UNCH C61 6
2 6 2 8 1 20 1 0 0 0 0 0 0 -6.835210 -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 -5.743570 -6.526770 15.936500 1XA 0 -0.15000 -0.15000 UNCH C81 8
2 8 2 10 1 22 1 0 0 0 0 0 0 -5.448480 -6.657050 14.582300 1XA 0 -0.15000 -0.15000 UNCH C91 9
2 9 1 11 2 23 1 0 0 0 0 0 0 -6.243850 -6.018130 13.632400 1XA 0 -0.15000 -0.15000 UNCH C101 10
2 6 1 10 2 13 1 0 0 0 0 0 0 -7.338110 -5.239350 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 -3.129840 17.295300 1XA 0 -0.88400 -0.88400 UNCH N121 12
49 11 1 14 2 15 2 16 1 0 0 0 0 -8.362710 -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 -9.737630 -4.801810 13.112600 1XA 0 -0.65000 -0.65000 UNCH O141 14
15 13 2 0 0 0 0 0 0 0 0 0 0 -7.809640 -4.866350 11.494000 1XA 0 -0.65000 -0.65000 UNCH O151 15
25 13 1 17 1 24 1 0 0 0 0 0 0 -8.122080 -2.852830 12.986000 1XA 0 -0.91370 -0.91370 UNCH N161 16
3 16 1 25 1 26 1 27 1 0 0 0 0 -6.777970 -2.310930 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 -3.907090 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 -2.259250 17.005301 1XA 0 0.40000 0.40000 UNCH H2 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.034630 -5.658270 17.411600 1XA 0 0.15000 0.15000 UNCH H3 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -5.121670 -7.023790 16.678101 1XA 0 0.15000 0.15000 UNCH H4 21
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41 10 1 0 0 0 0 0 0 0 0 0 0 -6.008770 -6.140620 12.576300 1XA 0 0.15000 0.15000 UNCH H6 23
43 16 1 0 0 0 0 0 0 0 0 0 0 -8.672890 -2.473660 13.766800 1XA 0 0.42000 0.42000 UNCH H7 24
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.289080 -2.706840 11.929600 1XA 0 0.00000 0.00000 UNCH H8 25
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.169020 -2.521270 13.706000 1XA 0 0.00000 0.00000 UNCH H9 26
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.847240 -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 -2.833880 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 -2.111070 13.897800 1XA 0 -0.70000 -0.70000 CUBT N2 2
2 4 2 8 1 9 1 0 0 0 0 0 0 -8.883320 -4.470370 15.327400 1XA 0 -0.14350 -0.14350 CUBT C1 3
2 3 2 5 1 13 1 0 0 0 0 0 0 -8.619160 -5.572610 14.474100 1XA 0 -0.14350 -0.14350 CUBT C2 4
2 4 1 6 2 14 1 0 0 0 0 0 0 -7.297270 -5.786220 14.015400 1XA 0 -0.14350 -0.14350 CUBT C3 5
2 5 2 7 1 15 1 0 0 0 0 0 0 -6.284090 -4.880130 14.365400 1XA 0 -0.15000 -0.15000 CUBT C4 6
2 6 1 8 2 16 1 0 0 0 0 0 0 -6.553050 -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 -7.840920 -3.586980 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 -4.162850 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 -3.319560 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 -2.108530 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 -2.843740 15.036100 1XA 0 0.20000 0.20000 CUBT C10 12
3 4 1 23 1 24 1 25 1 0 0 0 0 -9.712990 -6.552730 14.120000 1XA 0 0.14350 0.14350 CUBT C11 13
3 5 1 26 1 27 1 28 1 0 0 0 0 -6.928260 -6.964410 13.149900 1XA 0 0.14350 0.14350 CUBT C12 14
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.264310 -5.032520 14.013800 1XA 0 0.15000 0.15000 CUBT H1 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.750770 -3.107380 15.457900 1XA 0 0.15000 0.15000 CUBT H2 16
43 1 1 0 0 0 0 0 0 0 0 0 0 -9.686140 -3.016890 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 -1.615730 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 -1.633680 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 -2.930980 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 -5.087220 16.074400 1XA 0 0.00000 0.00000 CUBT H7 21
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.188200 -3.633730 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 -6.041290 13.942900 1XA 0 0.00000 0.00000 CUBT H9 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.499860 -7.097580 13.196200 1XA 0 0.00000 0.00000 CUBT H10 24
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.839060 -7.276260 14.931300 1XA 0 0.00000 0.00000 CUBT H11 25
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.254620 -7.899510 13.616300 1XA 0 0.00000 0.00000 CUBT H12 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.385950 -6.864120 12.160800 1XA 0 0.00000 0.00000 CUBT H13 27
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.844390 -7.037380 13.009200 1XA 0 0.00000 0.00000 CUBT H14 28
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.020880 -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 -8.783870 -3.184510 11.643200 1XA 0 -0.68000 -0.68000 CUCD O1 1
16 6 1 5 1 0 0 0 0 0 0 0 0 -6.371610 -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 -6.677690 -4.876670 16.343500 1XA 0 -0.57000 -0.57000 CUCD O3 3
3 1 1 14 1 12 1 5 1 0 0 0 0 -8.500080 -4.124570 12.676700 1XA 0 0.51850 0.51850 CUCD C1 4
3 2 1 4 1 16 1 6 1 0 0 0 0 -6.997210 -4.173290 12.774900 1XA 0 -0.04700 -0.04700 CUCD C2 5
3 2 1 5 1 17 1 7 1 0 0 0 0 -6.325180 -4.331540 14.097100 1XA 0 0.04800 0.04800 CUCD C3 6
2 3 2 6 1 13 1 0 0 0 0 0 0 -7.149490 -4.417830 15.312000 1XA 0 0.48380 0.48380 CUCD C4 7
2 18 1 13 1 9 2 0 0 0 0 0 0 -9.188980 -3.650930 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 -3.141580 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 -2.910860 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 -3.202570 14.016300 1XA 0 -0.14350 -0.14350 CUCD C8 11
2 4 1 11 1 13 2 0 0 0 0 0 0 -9.196520 -3.719670 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 -3.927670 15.231200 1XA 0 0.08620 0.08620 CUCD C10 13
3 4 1 24 1 23 1 22 1 0 0 0 0 -9.000210 -5.506320 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 -2.893210 12.777500 1XA 0 0.14350 0.14350 CUCD C12 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.515510 -4.558250 11.885400 1XA 0 0.10000 0.10000 CUCD H2 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.369220 -4.839060 14.129800 1XA 0 0.10000 0.10000 CUCD H3 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.674190 -3.819640 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 -2.917070 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 -2.500340 15.282800 1XA 0 0.15000 0.15000 CUCD H7 20
42 1 1 0 0 0 0 0 0 0 0 0 0 -8.465670 -2.323170 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 -5.530460 12.083500 1XA 0 0.00000 0.00000 CUCD H111 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.556520 -5.787070 11.265200 1XA 0 0.00000 0.00000 CUCD H112 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.742250 -6.283070 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 -1.970150 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 -3.710440 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 -7.290650 -6.578450 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 -2.316990 12.558400 1XA 0 0.06100 0.06100 UNCH C10 2
15 8 2 0 0 0 0 0 0 0 0 0 0 -7.903550 -2.406790 14.610000 1XA 0 -0.57000 -0.57000 UNCH O3 3
2 6 1 7 1 14 2 0 0 0 0 0 0 -9.922980 -5.334410 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 -2.753740 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 -4.473520 13.869700 1XA 0 0.00000 0.00000 UNCH C1 6
3 4 1 9 1 19 1 20 1 0 0 0 0 -8.663190 -6.159840 12.674400 1XA 0 0.06100 0.06100 UNCH C3 7
2 3 2 10 1 15 1 0 0 0 0 0 0 -8.077520 -3.425370 15.267400 1XA 0 0.50900 0.50900 UNCH C7 8
3 1 1 7 1 10 1 13 1 0 0 0 0 -7.791410 -5.552860 13.797600 1XA 0 0.37500 0.37500 UNCH C4 9
3 6 1 8 1 9 1 12 1 0 0 0 0 -8.685560 -4.626240 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 -9.969130 -5.180730 15.217200 1XA 0 -0.20000 -0.20000 UNCH C6 12
3 9 1 21 1 22 1 23 1 0 0 0 0 -6.579270 -4.843950 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 -5.385850 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 -3.555750 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 -7.156680 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 -4.673760 16.068701 1XA 0 0.10000 0.10000 UNCH H61 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -10.142700 -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 -8.930480 -7.201370 12.880000 1XA 0 0.00000 0.00000 UNCH H31 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.184530 -6.100320 11.692200 1XA 0 0.00000 0.00000 UNCH H32 20
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.913150 -4.456180 13.969500 1XA 0 0.00000 0.00000 UNCH H111 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.977070 -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 -6.876570 -4.012330 12.543000 1XA 0 0.00000 0.00000 UNCH H113 23
41 2 1 0 0 0 0 0 0 0 0 0 0 -10.491200 -1.255180 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 -2.559790 11.802100 1XA 0 0.00000 0.00000 UNCH H102 25
41 2 1 0 0 0 0 0 0 0 0 0 0 -9.422820 -2.508990 12.163100 1XA 0 0.00000 0.00000 UNCH H103 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -6.910010 -2.849990 16.952101 1XA 0 0.00000 0.00000 UNCH H81 27
41 15 1 0 0 0 0 0 0 0 0 0 0 -7.350850 -4.566060 16.926800 1XA 0 0.00000 0.00000 UNCH H82 28
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.583960 -3.335860 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 -8.530990 -4.679880 13.845700 1XA 0 -0.15750 -0.15750 UNCH S1 1
2 1 1 3 2 6 1 0 0 0 0 0 0 -8.685660 -2.951290 13.965700 1XA 0 -0.09560 -0.09560 UNCH C2 2
2 2 2 4 1 13 1 0 0 0 0 0 0 -8.337630 -2.010980 14.918700 1XA 0 0.30620 0.30620 UNCH C3 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -8.706330 -0.734894 14.519500 1XA 0 -0.56530 -0.56530 UNCH N4 4
2 4 2 6 1 18 1 0 0 0 0 0 0 -9.274510 -0.902108 13.347300 1XA 0 0.03650 0.03650 UNCH C5 5
25 2 1 5 1 16 1 0 0 0 0 0 0 -9.282570 -2.218230 12.966500 1XA 0 0.04760 0.04760 UNCH N6 6
2 1 1 8 2 12 1 0 0 0 0 0 0 -9.176080 -5.179060 15.442500 1XA 0 0.41150 0.41150 UNCH C7 7
25 7 2 9 1 0 0 0 0 0 0 0 0 -10.126500 -4.381530 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 -5.854730 17.907900 1XA 0 -0.15000 -0.15000 UNCH C10 10
2 10 1 12 2 21 1 0 0 0 0 0 0 -9.219290 -6.673710 17.324499 1XA 0 -0.15000 -0.15000 UNCH C11 11
2 7 1 11 2 17 1 0 0 0 0 0 0 -8.708080 -6.336070 16.073900 1XA 0 0.08250 0.08250 UNCH C12 12
31 3 1 14 1 15 2 0 0 0 0 0 0 -7.660320 -2.198840 16.178699 1XA 0 0.96100 0.96100 UNCH N13 13
18 13 1 0 0 0 0 0 0 0 0 0 0 -6.835380 -3.122470 16.252399 1XA 0 -0.52000 -0.52000 UNCH O14 14
15 13 2 0 0 0 0 0 0 0 0 0 0 -7.933350 -1.410990 17.096600 1XA 0 -0.52000 -0.52000 UNCH O15 15
3 6 1 22 1 23 1 24 1 0 0 0 0 -9.851820 -2.706230 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 -7.133770 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 -0.111846 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 -4.062480 17.630501 1XA 0 0.15000 0.15000 UNCH H9 19
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41 11 1 0 0 0 0 0 0 0 0 0 0 -8.883340 -7.560430 17.852301 1XA 0 0.15000 0.15000 UNCH H11 21
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.066740 -3.202610 11.156400 1XA 0 0.00000 0.00000 UNCH H161 22
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.662700 -3.399270 11.970100 1XA 0 0.00000 0.00000 UNCH H162 23
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42 17 1 0 0 0 0 0 0 0 0 0 0 -7.454230 -7.789510 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 -3.004710 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 -7.093870 13.727500 1XA 0 -0.33700 -0.33700 UNCH O2 2
16 5 1 15 1 0 0 0 0 0 0 0 0 -9.218740 -2.520230 17.068001 1XA 0 -0.33700 -0.33700 UNCH O3 3
25 9 1 10 1 11 1 0 0 0 0 0 0 -8.692030 -5.018880 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 -3.535160 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 -6.636450 -2.957040 14.070100 1XA 0 -0.80000 -0.80000 UNCH N4 7
2 5 2 9 1 12 1 0 0 0 0 0 0 -9.967850 -3.972860 15.550400 1XA 0 0.38900 0.38900 UNCH C1 8
2 4 1 6 2 8 1 0 0 0 0 0 0 -9.791390 -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 -8.850650 -5.134440 12.250200 1XA 0 -0.03100 -0.03100 UNCH C3 10
3 4 1 10 1 13 1 20 1 0 0 0 0 -8.539840 -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 -3.473310 15.770700 1XA 0 0.06100 0.06100 UNCH C5 12
2 1 2 7 1 11 1 0 0 0 0 0 0 -7.178960 -3.229650 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 -7.758830 13.979400 1XA 0 0.40000 0.40000 UNCH H2 14
42 3 1 0 0 0 0 0 0 0 0 0 0 -8.372530 -2.363380 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 -2.661860 14.113400 1XA 0 0.37000 0.37000 UNCH H14 16
43 7 1 0 0 0 0 0 0 0 0 0 0 -7.102430 -3.260530 14.921500 1XA 0 0.37000 0.37000 UNCH H24 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.855540 -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 -8.051280 -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 -9.350460 -3.081940 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 -3.947740 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 -2.387790 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 -8.406660 -6.259620 13.665700 1XA 0 0.32200 0.32200 UNCH SI1 1
16 7 1 13 1 0 0 0 0 0 0 0 0 -9.006490 -4.419440 15.909700 1XA 0 -0.56000 -0.56000 UNCH O1 2
16 12 1 14 1 0 0 0 0 0 0 0 0 -9.967030 -3.754040 12.332400 1XA 0 -0.68000 -0.68000 UNCH O2 3
3 1 1 15 1 16 1 17 1 0 0 0 0 -9.998090 -7.199840 13.352600 1XA 0 -0.08050 -0.08050 UNCH C1 4
3 1 1 18 1 19 1 20 1 0 0 0 0 -7.343170 -7.133910 14.943000 1XA 0 -0.08050 -0.08050 UNCH C2 5
3 1 1 21 1 22 1 23 1 0 0 0 0 -7.452650 -6.041690 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 -4.378630 14.460500 1XA 0 0.19950 0.19950 UNCH C4 7
3 7 1 9 1 24 1 25 1 0 0 0 0 -7.659260 -3.448310 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 -2.012380 14.655200 1XA 0 0.00000 0.00000 UNCH C6 9
3 9 1 11 1 28 1 29 1 0 0 0 0 -9.190380 -1.437810 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 -3.779380 13.752200 1XA 0 0.28000 0.28000 UNCH C9 12
3 2 1 33 1 34 1 35 1 0 0 0 0 -10.146400 -5.062180 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 -3.330830 11.946200 1XA 0 0.40000 0.40000 UNCH H1 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.778580 -8.190670 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 -6.670010 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 -7.336380 14.272200 1XA 0 0.00000 0.00000 UNCH H13 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.892050 -7.273810 15.878500 1XA 0 0.00000 0.00000 UNCH H21 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.442170 -6.551760 15.157300 1XA 0 0.00000 0.00000 UNCH H22 19
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.036220 -8.118080 14.576900 1XA 0 0.00000 0.00000 UNCH H23 20
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.235240 -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 -8.025560 -5.456910 11.341500 1XA 0 0.00000 0.00000 UNCH H32 22
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.500180 -5.534010 12.243900 1XA 0 0.00000 0.00000 UNCH H33 23
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.404230 -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 -6.777560 -3.818990 14.732800 1XA 0 0.00000 0.00000 UNCH H52 25
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.070680 -1.380430 14.401200 1XA 0 0.00000 0.00000 UNCH H61 26
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.027580 -1.984140 15.747100 1XA 0 0.00000 0.00000 UNCH H62 27
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.394840 -0.446127 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 -1.917740 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 -2.339430 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 -4.390440 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 -6.113290 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 -5.019570 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 -4.549240 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 -8.649950 -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 -8.429520 -6.167180 15.685700 1XA 0 0.16000 0.16000 CUDP C2 2
2 2 1 4 2 15 1 0 0 0 0 0 0 -8.461650 -4.792050 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 -4.253060 14.285100 1XA 0 0.08620 0.08620 CUDP C4 4
2 4 1 6 2 7 1 0 0 0 0 0 0 -8.919770 -5.109710 13.203600 1XA 0 0.08250 0.08250 CUDP C5 5
2 1 1 5 2 16 1 0 0 0 0 0 0 -8.878990 -6.474790 13.452800 1XA 0 0.16000 0.16000 CUDP C6 6
16 5 1 17 1 0 0 0 0 0 0 0 0 -9.133280 -4.722410 11.911600 1XA 0 -0.53250 -0.53250 CUDP O7 7
2 4 1 9 2 11 1 0 0 0 0 0 0 -8.808140 -2.791760 14.169900 1XA 0 0.52880 0.52880 CUDP C8 8
25 8 2 10 1 0 0 0 0 0 0 0 0 -8.013960 -1.818840 14.507800 1XA 0 -0.80000 -0.80000 CUDP N9 9
18 9 1 0 0 0 0 0 0 0 0 0 0 -6.808180 -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 -2.252180 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 -2.116670 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 -2.093470 12.322400 1XA 0 -0.52000 -0.52000 CUDP O13 13
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.220540 -6.623990 16.648300 1XA 0 0.15000 0.15000 CUDP H1 14
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.275880 -4.142480 16.399799 1XA 0 0.15000 0.15000 CUDP H2 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -9.029120 -7.185240 12.645100 1XA 0 0.15000 0.15000 CUDP H3 16
42 7 1 0 0 0 0 0 0 0 0 0 0 -8.977640 -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 -5.009350 15.103100 1XA 0 -0.38000 -0.38000 UNCH S1 1
25 5 1 6 1 9 1 0 0 0 0 0 0 -8.993690 -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 -3.587150 17.052099 1XA 0 -0.21100 -0.21100 UNCH N3 3
25 3 2 6 1 0 0 0 0 0 0 0 0 -9.354480 -2.919920 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 -4.206070 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 -2.968890 16.152000 1XA 0 0.54610 0.54610 UNCH C5 6
3 6 1 23 1 24 1 25 1 0 0 0 0 -7.044170 -3.330720 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 -1.551460 15.558700 1XA 0 0.00000 0.00000 UNCH C7 8
2 2 1 10 2 14 1 0 0 0 0 0 0 -8.318810 -4.638620 14.233500 1XA 0 0.11700 0.11700 UNCH C8 9
2 9 2 11 1 15 1 0 0 0 0 0 0 -8.613910 -5.968310 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 -6.633710 12.863900 1XA 0 -0.15000 -0.15000 UNCH C10 11
2 11 2 13 1 17 1 0 0 0 0 0 0 -6.945160 -5.984890 12.148200 1XA 0 -0.15000 -0.15000 UNCH C11 12
2 12 1 14 2 18 1 0 0 0 0 0 0 -6.615640 -4.676370 12.475900 1XA 0 -0.15000 -0.15000 UNCH C12 13
2 9 1 13 2 19 1 0 0 0 0 0 0 -7.290590 -4.016450 13.511500 1XA 0 -0.15000 -0.15000 UNCH C13 14
41 10 1 0 0 0 0 0 0 0 0 0 0 -9.339610 -6.549840 14.457100 1XA 0 0.15000 0.15000 UNCH H9 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -8.197380 -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 -6.423440 -6.498870 11.345500 1XA 0 0.15000 0.15000 UNCH H11 17
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.833080 -4.160670 11.924500 1XA 0 0.15000 0.15000 UNCH H12 18
41 14 1 0 0 0 0 0 0 0 0 0 0 -6.991020 -2.995190 13.704200 1XA 0 0.15000 0.15000 UNCH H13 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.218330 -0.804202 16.331301 1XA 0 0.00000 0.00000 UNCH H61 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.422690 -1.310670 15.144500 1XA 0 0.00000 0.00000 UNCH H62 21
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.703150 -1.408410 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 -7.059460 -4.329020 17.184799 1XA 0 0.00000 0.00000 UNCH H72 24
41 7 1 0 0 0 0 0 0 0 0 0 0 -6.255840 -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 -9.471310 -5.308940 13.587000 1XA 0 -0.13300 -0.13300 CUDR S1 1
25 7 1 5 1 4 2 0 0 0 0 0 0 -8.307290 -3.569880 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 -9.513750 -4.064710 14.778000 1XA 0 0.82500 0.82500 CUDR C1 4
2 2 1 8 1 6 2 0 0 0 0 0 0 -7.296680 -4.167240 14.317500 1XA 0 0.18300 0.18300 CUDR C2 5
2 1 1 5 2 9 1 0 0 0 0 0 0 -7.761080 -5.141690 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 -2.829220 15.734000 1XA 0 0.45000 0.45000 CUDR H1 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.260460 -3.866260 14.434300 1XA 0 0.15000 0.15000 CUDR H2 8
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.193730 -5.761580 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 -2.924540 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 -4.109410 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 -1.474990 18.571501 1XA 0 -0.53250 -0.53250 UNCH O1 1
2 4 2 28 1 37 1 0 0 0 0 0 0 -6.683220 -7.255380 15.827300 1XA 0 -0.15000 -0.15000 UNCH C17 2
16 12 1 31 1 0 0 0 0 0 0 0 0 -6.916130 -0.479359 10.868100 1XA 0 -0.53250 -0.53250 UNCH O2 3
2 2 2 6 1 30 1 0 0 0 0 0 0 -6.354740 -5.942710 16.206400 1XA 0 -0.15000 -0.15000 UNCH C18 4
16 11 1 34 1 0 0 0 0 0 0 0 0 -8.962490 -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 -7.147750 -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 -5.099840 13.743900 1XA 0 -0.43000 -0.43000 UNCH O4 7
2 7 1 9 2 36 1 0 0 0 0 0 0 -9.783210 -6.401110 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 -7.366860 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 -0.538168 18.582800 1XA 0 0.45000 0.45000 UNCH H1 10
2 5 1 13 2 21 1 0 0 0 0 0 0 -9.849230 -2.112810 15.751700 1XA 0 0.08250 0.08250 UNCH C1 11
42 3 1 0 0 0 0 0 0 0 0 0 0 -6.685040 -0.910378 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 -1.426410 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 -0.372512 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 -2.103440 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 -3.968530 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 -3.450910 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 16.198000 1XA 0 0.15000 0.15000 UNCH H5 18
2 17 1 18 1 21 2 0 0 0 0 0 0 -11.020700 -4.136720 16.342199 1XA 0 -0.15000 -0.15000 UNCH C5 19
41 27 1 0 0 0 0 0 0 0 0 0 0 -8.341830 -4.672860 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 -7.302630 -3.070530 10.329300 1XA 0 0.15000 0.15000 UNCH H7 22
3 7 1 21 1 25 1 35 1 0 0 0 0 -9.291520 -4.190720 14.450500 1XA 0 0.71050 0.71050 UNCH C7 23
41 33 1 0 0 0 0 0 0 0 0 0 0 -7.819660 0.069633 13.221700 1XA 0 0.15000 0.15000 UNCH H8 24
2 23 1 27 2 34 1 0 0 0 0 0 0 -8.693930 -3.223780 13.445700 1XA 0 -0.14350 -0.14350 UNCH C8 25
41 37 1 0 0 0 0 0 0 0 0 0 0 -8.078990 -8.509840 14.740000 1XA 0 0.15000 0.15000 UNCH H9 26
2 20 1 25 2 29 1 0 0 0 0 0 0 -8.237840 -3.636310 12.178600 1XA 0 -0.15000 -0.15000 UNCH C9 27
41 2 1 0 0 0 0 0 0 0 0 0 0 -6.054540 -8.082780 16.149599 1XA 0 0.15000 0.15000 UNCH H10 28
2 22 1 27 1 31 2 0 0 0 0 0 0 -7.643320 -2.726040 11.301100 1XA 0 -0.15000 -0.15000 UNCH C10 29
41 4 1 0 0 0 0 0 0 0 0 0 0 -5.473160 -5.765860 16.819799 1XA 0 0.15000 0.15000 UNCH H11 30
2 3 1 29 2 33 1 0 0 0 0 0 0 -7.495380 -1.400110 11.689600 1XA 0 0.08250 0.08250 UNCH C11 31
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.888640 -3.849650 16.102400 1XA 0 0.15000 0.15000 UNCH H12 32
2 24 1 31 1 34 2 0 0 0 0 0 0 -7.937570 -0.971002 12.933900 1XA 0 -0.15000 -0.15000 UNCH C12 33
2 5 1 25 1 33 2 0 0 0 0 0 0 -8.543150 -1.879520 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 -5.119190 15.024600 1XA 0 -0.14350 -0.14350 UNCH C14 35
2 8 1 35 1 37 2 0 0 0 0 0 0 -8.575210 -6.414290 14.660800 1XA 0 0.08620 0.08620 UNCH C15 36
2 2 1 26 1 36 2 0 0 0 0 0 0 -7.809570 -7.502570 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 -9.581990 -4.434160 15.587600 1XA 0 0.18570 0.18570 UNCH C1 1
2 1 2 3 1 14 1 0 0 0 0 0 0 -9.048210 -3.607430 14.667500 1XA 0 0.06500 0.06500 UNCH C2 2
2 2 1 4 1 8 2 0 0 0 0 0 0 -7.654930 -3.811860 14.249900 1XA 0 -0.13820 -0.13820 UNCH C3 3
3 3 1 5 1 17 1 18 1 0 0 0 0 -7.080710 -2.918170 13.169800 1XA 0 0.13820 0.13820 UNCH C4 4
3 4 1 6 1 19 1 20 1 0 0 0 0 -5.749790 -3.416630 12.598400 1XA 0 0.00000 0.00000 UNCH C5 5
3 5 1 7 1 21 1 22 1 0 0 0 0 -4.821240 -3.898640 13.704400 1XA 0 0.00000 0.00000 UNCH C6 6
3 6 1 8 1 23 1 24 1 0 0 0 0 -5.463170 -5.037690 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 -4.782110 14.823800 1XA 0 -0.12380 -0.12380 UNCH C8 8
2 8 1 10 1 16 2 0 0 0 0 0 0 -7.516660 -5.664290 15.868100 1XA 0 0.61560 0.61560 UNCH C9 9
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29 [CUNVEM,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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19 [DADLEZ,19,19,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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2 3 2 8 1 5 1 0 0 0 0 0 0 -9.023370 -4.551870 14.790700 1XA 0 0.01440 0.01440 DADL C3 4
2 1 1 4 1 10 2 0 0 0 0 0 0 -9.422310 -4.103920 13.496100 1XA 0 0.07670 0.07670 DADL C4 5
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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 -4.393430 15.842800 1XA 0 1.33280 1.33280 UNCH S1 1
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41 4 1 0 0 0 0 0 0 0 0 0 0 -8.487580 -3.102420 13.391500 1XA 0 0.00000 0.00000 UNCH H22 10
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.874330 -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 -7.120220 -3.938040 17.369600 1XA 0 0.00000 0.00000 UNCH H32 12
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.009810 -2.659330 18.207001 1XA 0 0.00000 0.00000 UNCH H33 13
3 4 1 15 1 16 1 17 1 0 0 0 0 -9.423020 -4.779290 14.401800 1XA 0 -0.08050 -0.08050 UNCH C2A 14
60 14 1 18 1 19 1 20 1 0 0 0 0 -9.487160 -5.995710 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 -4.316110 14.480100 1XA 0 0.00000 0.00000 UNCH H21A 16
41 14 1 0 0 0 0 0 0 0 0 0 0 -9.280460 -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 -7.687940 -6.992110 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 -7.251560 13.225200 1XA 0 -0.08050 -0.08050 UNCH C1A 19
3 15 1 24 1 25 1 26 1 0 0 0 0 -9.716370 -5.103630 11.339500 1XA 0 -0.08050 -0.08050 UNCH C3A 20
41 19 1 0 0 0 0 0 0 0 0 0 0 -10.856900 -7.983700 12.412300 1XA 0 0.00000 0.00000 UNCH H11A 21
41 19 1 0 0 0 0 0 0 0 0 0 0 -10.678500 -7.794210 14.163200 1XA 0 0.00000 0.00000 UNCH H12A 22
41 19 1 0 0 0 0 0 0 0 0 0 0 -11.811800 -6.768440 13.273000 1XA 0 0.00000 0.00000 UNCH H13A 23
41 20 1 0 0 0 0 0 0 0 0 0 0 -8.893710 -4.407410 11.150100 1XA 0 0.00000 0.00000 UNCH H31A 24
41 20 1 0 0 0 0 0 0 0 0 0 0 -10.647800 -4.529280 11.340400 1XA 0 0.00000 0.00000 UNCH H32A 25
41 20 1 0 0 0 0 0 0 0 0 0 0 -9.758240 -5.807990 10.503000 1XA 0 0.00000 0.00000 UNCH H33A 26
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 -9.251820 -4.191060 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 -3.148320 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 -3.170380 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 -2.050620 14.991900 1XA 0 -0.49000 -0.49000 UNCH N3 4
2 4 1 6 2 7 1 0 0 0 0 0 0 -9.349490 -1.914080 13.798000 1XA 0 0.57700 0.57700 UNCH C4 5
15 5 2 0 0 0 0 0 0 0 0 0 0 -9.503180 -0.875527 13.146400 1XA 0 -0.57000 -0.57000 UNCH O2 6
3 5 1 8 1 9 1 13 1 0 0 0 0 -8.411070 -3.080120 13.401900 1XA 0 0.05300 0.05300 UNCH C5 7
3 1 1 7 1 14 1 19 1 0 0 0 0 -8.280610 -4.226790 14.436100 1XA 0 0.22500 0.22500 UNCH C6 8
3 7 1 23 1 24 1 25 1 0 0 0 0 -7.026680 -2.551350 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 -6.013540 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 -5.250910 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 -4.158610 12.262300 1XA 0 -0.73700 -0.73700 UNCH N31 12
3 7 1 12 1 14 1 21 1 0 0 0 0 -8.948340 -4.096780 12.363200 1XA 0 0.28700 0.28700 UNCH C41 13
3 8 1 10 1 13 1 22 1 0 0 0 0 -8.565870 -5.264920 13.316700 1XA 0 0.24500 0.24500 UNCH C51 14
3 1 1 16 1 26 1 27 1 0 0 0 0 -9.378120 -5.401510 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 -6.361270 15.802900 1XA 0 0.00000 0.00000 UNCH C9 16
3 10 1 16 1 30 1 31 1 0 0 0 0 -9.992560 -6.993410 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 -1.319980 15.184400 1XA 0 0.37000 0.37000 UNCH H3 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.267820 -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 -5.599790 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 -4.107230 11.383500 1XA 0 0.00000 0.00000 UNCH H41 21
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.711430 -5.870440 13.001400 1XA 0 0.00000 0.00000 UNCH H51 22
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.341830 -3.364910 12.725700 1XA 0 0.00000 0.00000 UNCH H71 23
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.105760 -1.889330 12.121200 1XA 0 0.00000 0.00000 UNCH H72 24
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.570790 -1.983470 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 -5.884980 16.431700 1XA 0 0.00000 0.00000 UNCH H81 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -9.662280 -5.118340 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 -5.844460 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 -7.164740 16.530600 1XA 0 0.00000 0.00000 UNCH H92 29
41 17 1 0 0 0 0 0 0 0 0 0 0 -9.074080 -7.574860 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 -7.705020 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 -5.894080 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 -5.555980 12.407500 1XA 0 -0.57000 -0.57000 DAKB O1 2
18 7 1 0 0 0 0 0 0 0 0 0 0 -9.619580 -5.930860 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 -4.731070 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 -6.017610 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 -5.290660 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 -4.933570 11.078900 1XA 0 0.90700 0.90700 DAKB N3 7
2 1 1 5 1 12 2 0 0 0 0 0 0 -9.437460 -5.823030 16.370001 1XA 0 0.05000 0.05000 DAKB C1 8
2 5 1 14 1 10 2 0 0 0 0 0 0 -7.265450 -6.230360 15.262300 1XA 0 -0.03820 -0.03820 DAKB C2 9
2 9 2 21 1 11 1 0 0 0 0 0 0 -7.797580 -6.044520 14.038700 1XA 0 -0.12380 -0.12380 DAKB C3 10
3 10 1 24 1 15 1 12 1 0 0 0 0 -9.234620 -5.576230 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 -5.613760 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 -5.440550 15.035800 1XA 0 0.49210 0.49210 DAKB C6 13
3 9 1 27 1 26 1 25 1 0 0 0 0 -5.858780 -6.679790 15.544300 1XA 0 0.13820 0.13820 DAKB C7 14
2 11 1 20 1 16 2 0 0 0 0 0 0 -9.282360 -4.176810 13.231300 1XA 0 -0.14350 -0.14350 DAKB C8 15
2 15 2 28 1 17 1 0 0 0 0 0 0 -8.786010 -3.083150 13.975600 1XA 0 -0.15000 -0.15000 DAKB C9 16
2 16 1 29 1 18 2 0 0 0 0 0 0 -8.830470 -1.777090 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 -9.867010 -2.575330 11.459600 1XA 0 -0.15000 -0.15000 DAKB C12 19
2 7 1 15 1 19 2 0 0 0 0 0 0 -9.816880 -3.889930 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 -6.345340 12.820500 1XA 0 0.49460 0.49460 DAKB C14 21
3 21 1 34 1 33 1 32 1 0 0 0 0 -7.256380 -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 -7.731590 -6.263420 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 -6.311160 13.218900 1XA 0 0.00000 0.00000 DAKB H4 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.869920 -7.607680 16.126400 1XA 0 0.00000 0.00000 DAKB H17 25
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.272260 -6.869020 14.641500 1XA 0 0.00000 0.00000 DAKB H27 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.330960 -5.916520 16.126101 1XA 0 0.00000 0.00000 DAKB H37 27
41 16 1 0 0 0 0 0 0 0 0 0 0 -8.367450 -3.245530 14.971200 1XA 0 0.15000 0.15000 DAKB H9 28
41 17 1 0 0 0 0 0 0 0 0 0 0 -8.446150 -0.961018 14.087000 1XA 0 0.15000 0.15000 DAKB H10 29
41 18 1 0 0 0 0 0 0 0 0 0 0 -9.411190 -0.504024 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 -2.368210 10.478100 1XA 0 0.15000 0.15000 DAKB H12 31
41 22 1 0 0 0 0 0 0 0 0 0 0 -7.330580 -7.521060 11.069100 1XA 0 0.00000 0.00000 DAKB H115 32
41 22 1 0 0 0 0 0 0 0 0 0 0 -8.186770 -8.125190 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 -8.344680 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 -9.372170 -7.327580 15.438900 1XA 0 -0.33810 -0.33810 DAKC N1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -10.300900 -7.484400 16.445101 1XA 0 0.00000 0.00000 DAKC N2 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -10.847000 -6.321060 16.784800 1XA 0 -0.41800 -0.41800 DAKC N3 3
25 3 1 9 1 5 1 0 0 0 0 0 0 -10.266300 -5.411550 15.992800 1XA 0 0.77160 0.77160 DAKC N4 4
25 4 1 6 2 0 0 0 0 0 0 0 0 -10.566500 -4.092390 16.043100 1XA 0 -0.65200 -0.65200 DAKC N5 5
2 5 2 14 1 7 1 0 0 0 0 0 0 -9.904230 -3.354290 15.199800 1XA 0 0.57480 0.57480 DAKC C6 6
2 6 1 10 2 8 1 0 0 0 0 0 0 -8.877090 -3.870540 14.225300 1XA 0 0.08620 0.08620 DAKC C7 7
2 7 1 13 2 9 1 0 0 0 0 0 0 -8.617870 -5.249980 14.230100 1XA 0 0.05300 0.05300 DAKC C8 8
2 1 2 4 1 8 1 0 0 0 0 0 0 -9.364040 -6.041390 15.172200 1XA 0 0.13350 0.13350 DAKC C9 9
2 7 2 20 1 11 1 0 0 0 0 0 0 -8.191590 -3.034980 13.338100 1XA 0 -0.15000 -0.15000 DAKC C10 10
2 10 1 19 1 12 2 0 0 0 0 0 0 -7.251760 -3.583330 12.461700 1XA 0 -0.15000 -0.15000 DAKC C11 11
2 11 2 18 1 13 1 0 0 0 0 0 0 -6.996550 -4.957080 12.469600 1XA 0 -0.15000 -0.15000 DAKC C12 12
2 8 2 12 1 17 1 0 0 0 0 0 0 -7.678580 -5.794600 13.353600 1XA 0 -0.15000 -0.15000 DAKC C13 13
25 6 1 15 2 0 0 0 0 0 0 0 0 -10.116800 -1.998670 15.150800 1XA 0 -0.52890 -0.52890 DAKC N14 14
204 14 2 16 2 0 0 0 0 0 0 0 0 -10.964800 -1.572170 15.955300 1XA 0 0.68790 0.68790 DAKC N15 15
201 15 2 0 0 0 0 0 0 0 0 0 0 -11.734500 -1.138000 16.676001 1XA 0 -0.37000 -0.37000 DAKC N16 16
41 13 1 0 0 0 0 0 0 0 0 0 0 -7.474490 -6.863910 13.354000 1XA 0 0.15000 0.15000 DAKC H1 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.262860 -5.376260 11.783700 1XA 0 0.15000 0.15000 DAKC H2 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -6.714920 -2.938140 11.768800 1XA 0 0.15000 0.15000 DAKC H3 19
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.375540 -1.963560 13.316100 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 1.575530 -3.362640 7.883290 1XA 0 0.54380 0.54380 UNCH C1 1
2 1 1 3 2 7 1 0 0 0 0 0 0 1.493500 -2.094270 7.114070 1XA 0 0.08620 0.08620 UNCH C2 2
2 2 2 4 1 26 1 0 0 0 0 0 0 1.570680 -0.870204 7.789470 1XA 0 -0.15000 -0.15000 UNCH C3 3
2 3 1 5 2 27 1 0 0 0 0 0 0 1.491380 0.326353 7.074570 1XA 0 -0.15000 -0.15000 UNCH C4 4
2 4 2 6 1 17 1 0 0 0 0 0 0 1.330860 0.296089 5.690310 1XA 0 0.17700 0.17700 UNCH C5 5
2 5 1 7 2 28 1 0 0 0 0 0 0 1.245980 -0.920196 5.010210 1XA 0 -0.15000 -0.15000 UNCH C6 6
2 2 1 6 2 8 1 0 0 0 0 0 0 1.328210 -2.130020 5.718990 1XA 0 -0.14350 -0.14350 UNCH C7 7
3 7 1 9 1 19 1 29 1 0 0 0 0 1.208430 -3.464580 5.002130 1XA 0 0.51260 0.51260 UNCH C8 8
3 8 1 10 1 30 1 31 1 0 0 0 0 -0.263080 -3.864950 4.869880 1XA 0 0.06100 0.06100 UNCH C9 9
2 9 1 23 2 24 1 0 0 0 0 0 0 -0.415232 -5.094260 4.030400 1XA 0 0.65900 0.65900 UNCH C10 10
2 12 1 16 2 19 1 0 0 0 0 0 0 3.304260 -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 3.643230 -4.987730 4.065510 1XA 0 -0.15000 -0.15000 UNCH C12 12
2 12 2 14 1 33 1 0 0 0 0 0 0 4.955060 -5.259190 3.648590 1XA 0 -0.15000 -0.15000 UNCH C13 13
2 13 1 15 2 25 1 0 0 0 0 0 0 5.949840 -5.300170 4.628310 1XA 0 0.04000 0.04000 UNCH C14 14
2 14 2 16 1 20 1 0 0 0 0 0 0 5.672980 -5.089920 5.979120 1XA 0 0.22720 0.22720 UNCH C15 15
2 11 2 15 1 34 1 0 0 0 0 0 0 4.339630 -4.821470 6.361620 1XA 0 -0.15000 -0.15000 UNCH C16 16
57 5 1 0 0 0 0 0 0 0 0 0 0 1.229430 1.770310 4.809740 1XA 0 -0.17700 -0.17700 UNCH CL1 17
25 1 1 19 1 35 1 0 0 0 0 0 0 1.683060 -4.523640 7.146320 1XA 0 -0.41000 -0.41000 UNCH N1 18
25 8 1 11 1 18 1 0 0 0 0 0 0 1.956030 -4.495360 5.766290 1XA 0 -0.48910 -0.48910 UNCH N2 19
25 15 1 21 2 0 0 0 0 0 0 0 0 6.776000 -5.171370 6.822510 1XA 0 -0.22720 -0.22720 UNCH N3 20
25 20 2 25 1 0 0 0 0 0 0 0 0 7.887810 -5.436620 6.158660 1XA 0 -0.22070 -0.22070 UNCH N4 21
15 1 2 0 0 0 0 0 0 0 0 0 0 1.538260 -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 -1.011330 -6.111340 4.341770 1XA 0 -0.57000 -0.57000 UNCH O2 23
16 10 1 36 1 0 0 0 0 0 0 0 0 0.110001 -4.968100 2.796140 1XA 0 -0.65000 -0.65000 UNCH O3 24
49 14 1 21 1 0 0 0 0 0 0 0 0 7.642060 -5.597270 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 -0.847330 8.870770 1XA 0 0.15000 0.15000 UNCH H3 26
41 4 1 0 0 0 0 0 0 0 0 0 0 1.554960 1.274320 7.603130 1XA 0 0.15000 0.15000 UNCH H4 27
41 6 1 0 0 0 0 0 0 0 0 0 0 1.116120 -0.923226 3.930030 1XA 0 0.15000 0.15000 UNCH H6 28
41 8 1 0 0 0 0 0 0 0 0 0 0 1.635000 -3.335680 4.000840 1XA 0 0.00000 0.00000 UNCH H8 29
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.856796 -3.069140 4.403850 1XA 0 0.00000 0.00000 UNCH H91 30
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.716893 -4.063490 5.848600 1XA 0 0.00000 0.00000 UNCH H92 31
41 12 1 0 0 0 0 0 0 0 0 0 0 2.868740 -4.999670 3.300480 1XA 0 0.15000 0.15000 UNCH H12 32
41 13 1 0 0 0 0 0 0 0 0 0 0 5.182650 -5.442640 2.603260 1XA 0 0.15000 0.15000 UNCH H13 33
41 16 1 0 0 0 0 0 0 0 0 0 0 4.155510 -4.657030 7.418230 1XA 0 0.15000 0.15000 UNCH H16 34
43 18 1 0 0 0 0 0 0 0 0 0 0 1.786470 -5.412970 7.626090 1XA 0 0.37000 0.37000 UNCH H10 35
42 24 1 0 0 0 0 0 0 0 0 0 0 -0.123463 -5.818450 2.362290 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 -8.883970 -4.234820 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 -5.573820 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 -2.895840 15.502900 1XA 0 -0.56000 -0.56000 DAKF S2 3
3 2 1 6 1 7 1 12 1 0 0 0 0 -9.099410 -7.089180 13.619300 1XA 0 0.23000 0.23000 DAKF C1 4
3 3 1 8 1 9 1 13 1 0 0 0 0 -9.105490 -1.380460 15.088800 1XA 0 0.23000 0.23000 DAKF C2 5
41 4 1 0 0 0 0 0 0 0 0 0 0 -8.225860 -7.160270 12.960600 1XA 0 0.00000 0.00000 DAKF H11 6
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.734030 -7.957420 13.414800 1XA 0 0.00000 0.00000 DAKF H12 7
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.237390 -1.309360 15.754700 1XA 0 0.00000 0.00000 DAKF H21 8
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.741790 -0.512237 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 -7.723250 -2.895820 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 -7.089180 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 -1.380460 13.621100 1XA 0 0.23000 0.23000 DAKF C2B 13
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.542040 -7.160280 15.749300 1XA 0 0.00000 0.00000 DAKF H11B 14
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.033860 -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 -1.309370 12.955200 1XA 0 0.00000 0.00000 DAKF H21B 16
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.026220 -0.512225 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 -6.493720 -5.895870 13.597700 1XA 0 1.31800 1.31800 DAPS S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -6.396830 -6.076510 12.160100 1XA 0 -0.65000 -0.65000 DAPS O1 2
15 1 2 0 0 0 0 0 0 0 0 0 0 -5.423070 -6.349820 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 -8.660930 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 -0.054714 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 -6.689710 14.124800 1XA 0 -0.00900 -0.00900 DAPS C1 6
2 6 1 18 1 8 2 0 0 0 0 0 0 -8.046910 -7.331750 15.362700 1XA 0 -0.15000 -0.15000 DAPS C2 7
2 7 2 19 1 9 1 0 0 0 0 0 0 -9.229920 -7.961310 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 -7.341120 13.679600 1XA 0 -0.15000 -0.15000 DAPS C5 10
2 6 2 10 1 21 1 0 0 0 0 0 0 -9.097950 -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 -6.723730 -4.161090 13.912700 1XA 0 -0.00900 -0.00900 DAPS C7 12
2 12 2 22 1 14 1 0 0 0 0 0 0 -6.504780 -3.662780 15.198200 1XA 0 -0.15000 -0.15000 DAPS C8 13
2 13 1 23 1 15 2 0 0 0 0 0 0 -6.674850 -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 -7.092590 -1.433810 14.424900 1XA 0 0.10000 0.10000 DAPS C10 15
2 15 1 24 1 17 2 0 0 0 0 0 0 -7.236520 -1.939510 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 -3.302470 12.868600 1XA 0 -0.15000 -0.15000 DAPS C12 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.176990 -7.366240 16.014500 1XA 0 0.15000 0.15000 DAPS H1 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.254450 -8.487560 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 -7.380380 12.996200 1XA 0 0.15000 0.15000 DAPS H3 20
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.047960 -6.254590 12.281900 1XA 0 0.15000 0.15000 DAPS H4 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.183830 -4.317310 16.005199 1XA 0 0.15000 0.15000 DAPS H5 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -6.471080 -1.909920 16.437901 1XA 0 0.15000 0.15000 DAPS H6 23
41 16 1 0 0 0 0 0 0 0 0 0 0 -7.474660 -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 -7.193910 -3.673560 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 -8.353780 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 -8.789090 16.297800 1XA 0 0.40000 0.40000 DAPS H10 27
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.723070 0.454902 13.992100 1XA 0 0.40000 0.40000 DAPS H11 28
43 5 1 0 0 0 0 0 0 0 0 0 0 -7.330570 0.204079 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 -8.109820 -4.658320 11.267200 1XA 0 0.23000 0.23000 UNCH C1 1
49 1 1 3 1 0 0 0 0 0 0 0 0 -6.718820 -5.485470 12.094900 1XA 0 -0.37100 -0.37100 UNCH S2 2
2 2 1 4 1 9 2 0 0 0 0 0 0 -7.198950 -4.902390 13.691800 1XA 0 0.64100 0.64100 UNCH C3 3
25 3 1 5 1 8 1 0 0 0 0 0 0 -8.250250 -4.031910 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 -2.971250 14.567500 1XA 0 0.78010 0.78010 UNCH C5 5
49 5 1 7 1 0 0 0 0 0 0 0 0 -8.083680 -1.400320 13.652400 1XA 0 -0.46000 -0.46000 UNCH S6 6
3 6 1 8 1 20 1 21 1 0 0 0 0 -7.901270 -2.226750 12.047600 1XA 0 0.23000 0.23000 UNCH C7 7
3 1 1 4 1 7 1 22 1 0 0 0 0 -8.583230 -3.580990 12.235500 1XA 0 0.36910 0.36910 UNCH C8 8
25 3 2 10 1 0 0 0 0 0 0 0 0 -6.631510 -5.226760 14.797100 1XA 0 -0.69600 -0.69600 UNCH N9 9
3 9 1 23 1 24 1 25 1 0 0 0 0 -5.517060 -6.160630 14.795200 1XA 0 0.24600 0.24600 UNCH C10 10
2 5 1 12 2 15 1 0 0 0 0 0 0 -9.829740 -2.889700 15.175300 1XA 0 0.04620 0.04620 UNCH C11 11
2 11 2 13 1 16 1 0 0 0 0 0 0 -10.189900 -2.883200 16.514700 1XA 0 -0.33160 -0.33160 UNCH C12 12
25 12 1 14 1 26 1 0 0 0 0 0 0 -11.559800 -2.809770 16.517000 1XA 0 0.03320 0.03320 UNCH N13 13
2 13 1 15 2 27 1 0 0 0 0 0 0 -11.980500 -2.781970 15.219600 1XA 0 0.03650 0.03650 UNCH C14 14
25 11 1 14 2 0 0 0 0 0 0 0 0 -10.970800 -2.831940 14.384400 1XA 0 -0.56530 -0.56530 UNCH N15 15
3 12 1 28 1 29 1 30 1 0 0 0 0 -9.380970 -2.945450 17.752701 1XA 0 0.18000 0.18000 UNCH C16 16
41 1 1 0 0 0 0 0 0 0 0 0 0 -8.895720 -5.406300 11.118800 1XA 0 0.00000 0.00000 UNCH H11 17
41 1 1 0 0 0 0 0 0 0 0 0 0 -7.818880 -4.259650 10.291300 1XA 0 0.00000 0.00000 UNCH H12 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.707890 -3.027530 15.375700 1XA 0 0.00000 0.00000 UNCH H5 19
41 7 1 0 0 0 0 0 0 0 0 0 0 -6.832600 -2.324570 11.831500 1XA 0 0.00000 0.00000 UNCH H71 20
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.365720 -1.643600 11.247400 1XA 0 0.00000 0.00000 UNCH H72 21
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.668290 -3.458340 12.125100 1XA 0 0.00000 0.00000 UNCH H8 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -5.187170 -6.316530 15.827500 1XA 0 0.00000 0.00000 UNCH H101 23
41 10 1 0 0 0 0 0 0 0 0 0 0 -4.658720 -5.767730 14.240600 1XA 0 0.00000 0.00000 UNCH H102 24
41 10 1 0 0 0 0 0 0 0 0 0 0 -5.806620 -7.140070 14.400700 1XA 0 0.00000 0.00000 UNCH H103 25
43 13 1 0 0 0 0 0 0 0 0 0 0 -12.158400 -2.786770 17.330999 1XA 0 0.27000 0.27000 UNCH H13 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -13.026300 -2.727060 14.948800 1XA 0 0.15000 0.15000 UNCH H14 27
41 16 1 0 0 0 0 0 0 0 0 0 0 -8.788410 -3.865560 17.774900 1XA 0 0.00000 0.00000 UNCH H161 28
41 16 1 0 0 0 0 0 0 0 0 0 0 -10.010900 -2.926930 18.647800 1XA 0 0.00000 0.00000 UNCH H162 29
41 16 1 0 0 0 0 0 0 0 0 0 0 -8.695820 -2.093320 17.803301 1XA 0 0.00000 0.00000 UNCH H163 30
39 [DARPOB10,39,39,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
53 8 2 2 1 0 0 0 0 0 0 0 0 -9.450400 -5.419670 14.654600 1XA 0 -0.59640 -0.59640 A1 P1 1
60 1 1 7 1 6 1 5 1 0 0 0 0 -8.863780 -5.323400 16.819500 1XA 0 0.59050 0.59050 A1 SI1 2
26 10 1 9 1 8 1 0 0 0 0 0 0 -8.647280 -2.793620 14.796100 1XA 0 -0.78820 -0.78820 A1 N1 3
26 13 1 11 1 8 1 0 0 0 0 0 0 -9.332290 -3.561720 12.712400 1XA 0 -0.78820 -0.78820 A1 N2 4
3 2 1 17 1 16 1 15 1 0 0 0 0 -9.087710 -7.071690 17.505699 1XA 0 -0.08050 -0.08050 A1 C1 5
3 2 1 20 1 19 1 18 1 0 0 0 0 -7.068730 -4.853630 17.042601 1XA 0 -0.08050 -0.08050 A1 C2 6
3 2 1 23 1 22 1 21 1 0 0 0 0 -9.970330 -4.183990 17.802200 1XA 0 -0.08050 -0.08050 A1 C3 7
2 1 2 3 1 4 1 0 0 0 0 0 0 -9.135170 -3.849380 14.055000 1XA 0 0.34740 0.34740 A1 C4 8
3 3 1 26 1 25 1 24 1 0 0 0 0 -9.585610 -1.724110 15.151900 1XA 0 0.36910 0.36910 A1 C5 9
3 3 1 39 1 28 1 27 1 0 0 0 0 -7.339880 -2.254160 14.400900 1XA 0 0.36910 0.36910 A1 C6 10
3 4 1 30 1 29 1 12 1 0 0 0 0 -10.671000 -3.132320 12.265600 1XA 0 0.36910 0.36910 A1 C7 11
3 11 1 33 1 32 1 31 1 0 0 0 0 -11.527000 -4.253890 11.697500 1XA 0 0.00000 0.00000 A1 C8 12
3 4 1 35 1 34 1 14 1 0 0 0 0 -8.488540 -4.250430 11.718200 1XA 0 0.36910 0.36910 A1 C9 13
3 13 1 38 1 37 1 36 1 0 0 0 0 -8.153090 -3.345330 10.542700 1XA 0 0.00000 0.00000 A1 C10 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -10.128600 -7.394730 17.409401 1XA 0 0.00000 0.00000 A1 H11 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.816510 -7.098580 18.565399 1XA 0 0.00000 0.00000 A1 H12 16
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.450780 -7.782050 16.970200 1XA 0 0.00000 0.00000 A1 H13 17
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.901150 -3.793570 16.837000 1XA 0 0.00000 0.00000 A1 H21 18
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.422570 -5.438210 16.380800 1XA 0 0.00000 0.00000 A1 H22 19
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.751410 -5.041900 18.073099 1XA 0 0.00000 0.00000 A1 H23 20
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.737570 -3.133960 17.610901 1XA 0 0.00000 0.00000 A1 H31 21
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.838510 -4.357410 18.875000 1XA 0 0.00000 0.00000 A1 H32 22
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.024700 -4.352230 17.563000 1XA 0 0.00000 0.00000 A1 H33 23
41 9 1 0 0 0 0 0 0 0 0 0 0 -10.548900 -2.137150 15.469300 1XA 0 0.00000 0.00000 A1 H51 24
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.188360 -1.135270 15.985500 1XA 0 0.00000 0.00000 A1 H52 25
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.757910 -1.051070 14.305100 1XA 0 0.00000 0.00000 A1 H53 26
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.624540 -3.065350 14.227200 1XA 0 0.00000 0.00000 A1 H61 27
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.932920 -1.623830 15.198700 1XA 0 0.00000 0.00000 A1 H63 28
41 11 1 0 0 0 0 0 0 0 0 0 0 -10.563200 -2.339900 11.516700 1XA 0 0.00000 0.00000 A1 H71 29
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.214800 -2.676220 13.100700 1XA 0 0.00000 0.00000 A1 H72 30
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.100500 -4.662580 10.776700 1XA 0 0.00000 0.00000 A1 H81 31
41 12 1 0 0 0 0 0 0 0 0 0 0 -12.524100 -3.872790 11.453300 1XA 0 0.00000 0.00000 A1 H82 32
41 12 1 0 0 0 0 0 0 0 0 0 0 -11.648700 -5.074100 12.409800 1XA 0 0.00000 0.00000 A1 H83 33
41 13 1 0 0 0 0 0 0 0 0 0 0 -7.539360 -4.543230 12.185100 1XA 0 0.00000 0.00000 A1 H91 34
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.962520 -5.173630 11.367900 1XA 0 0.00000 0.00000 A1 H92 35
41 14 1 0 0 0 0 0 0 0 0 0 0 -9.040170 -3.114380 9.945220 1XA 0 0.00000 0.00000 A1 H101 36
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.429650 -3.836110 9.883830 1XA 0 0.00000 0.00000 A1 H102 37
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.718610 -2.400270 10.884500 1XA 0 0.00000 0.00000 A1 H103 38
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.416590 -1.652790 13.488600 1XA 0 0.00000 0.00000 A1 H1 39
26 [DARXID,26,26,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 -12.264000 -3.038100 13.244400 1XA 0 -0.38000 -0.38000 UNCH S1 1
25 3 1 4 1 9 1 0 0 0 0 0 0 -9.929470 -4.225390 14.253500 1XA 0 -0.15700 -0.15700 UNCH N1 2
25 2 1 6 1 8 1 0 0 0 0 0 0 -9.221760 -5.441750 13.990000 1XA 0 -0.48910 -0.48910 UNCH N2 3
2 1 2 2 1 5 1 0 0 0 0 0 0 -11.101800 -4.219090 13.464600 1XA 0 0.42560 0.42560 UNCH C1 4
2 4 1 6 2 15 1 0 0 0 0 0 0 -11.124100 -5.517000 12.739200 1XA 0 -0.13560 -0.13560 UNCH C2 5
2 3 1 5 2 7 1 0 0 0 0 0 0 -10.005400 -6.161970 13.089200 1XA 0 -0.03820 -0.03820 UNCH C3 6
3 6 1 16 1 17 1 18 1 0 0 0 0 -9.604930 -7.512620 12.598600 1XA 0 0.13820 0.13820 UNCH C4 7
3 3 1 19 1 20 1 21 1 0 0 0 0 -8.716090 -6.113220 15.196200 1XA 0 0.36910 0.36910 UNCH C5 8
2 2 1 10 2 14 1 0 0 0 0 0 0 -9.206320 -3.087260 14.712100 1XA 0 0.11700 0.11700 UNCH C11 9
2 9 2 11 1 22 1 0 0 0 0 0 0 -7.818470 -2.994000 14.519300 1XA 0 -0.15000 -0.15000 UNCH C21 10
2 10 1 12 2 23 1 0 0 0 0 0 0 -7.098120 -1.888610 14.981300 1XA 0 -0.15000 -0.15000 UNCH C31 11
2 11 2 13 1 24 1 0 0 0 0 0 0 -7.754730 -0.862338 15.653700 1XA 0 -0.15000 -0.15000 UNCH C41 12
2 12 1 14 2 25 1 0 0 0 0 0 0 -9.128090 -0.944302 15.866300 1XA 0 -0.15000 -0.15000 UNCH C51 13
2 9 1 13 2 26 1 0 0 0 0 0 0 -9.847000 -2.050680 15.401300 1XA 0 -0.15000 -0.15000 UNCH C61 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -11.897700 -5.833790 12.062200 1XA 0 0.15000 0.15000 UNCH H2 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.597580 -7.480020 12.171200 1XA 0 0.00000 0.00000 UNCH H14 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.613970 -8.241270 13.415200 1XA 0 0.00000 0.00000 UNCH H24 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -10.285300 -7.875040 11.820700 1XA 0 0.00000 0.00000 UNCH H34 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.074180 -6.956710 14.920800 1XA 0 0.00000 0.00000 UNCH H15 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.112120 -5.441730 15.813600 1XA 0 0.00000 0.00000 UNCH H25 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.544120 -6.488900 15.808000 1XA 0 0.00000 0.00000 UNCH H35 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.286380 -3.770740 13.975800 1XA 0 0.15000 0.15000 UNCH H21 22
41 11 1 0 0 0 0 0 0 0 0 0 0 -6.026910 -1.828900 14.808100 1XA 0 0.15000 0.15000 UNCH H31 23
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.198080 -0.000612 16.012400 1XA 0 0.15000 0.15000 UNCH H41 24
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.644980 -0.150271 16.399401 1XA 0 0.15000 0.15000 UNCH H51 25
41 14 1 0 0 0 0 0 0 0 0 0 0 -10.909000 -2.099600 15.622700 1XA 0 0.15000 0.15000 UNCH H61 26
24 [DARZEB,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 2 10 1 0 0 0 0 0 0 0 0 -6.584050 -4.934600 14.791900 1XA 0 -0.17900 -0.17900 UNCH N1 1
25 1 2 3 1 0 0 0 0 0 0 0 0 -6.486240 -4.472430 13.631000 1XA 0 -0.06200 -0.06200 UNCH N2 2
26 2 1 4 1 11 1 0 0 0 0 0 0 -7.613360 -4.150650 12.917300 1XA 0 -0.53820 -0.53820 UNCH N3 3
3 3 1 5 1 13 1 19 1 0 0 0 0 -8.854560 -4.849200 13.176200 1XA 0 0.72360 0.72360 UNCH C4 4
2 4 1 6 2 10 1 0 0 0 0 0 0 -9.020660 -5.081190 14.636100 1XA 0 -0.14350 -0.14350 UNCH C41 5
2 5 2 7 1 21 1 0 0 0 0 0 0 -10.263100 -5.303830 15.243300 1XA 0 -0.15000 -0.15000 UNCH C5 6
2 6 1 8 2 22 1 0 0 0 0 0 0 -10.332800 -5.519560 16.618700 1XA 0 -0.15000 -0.15000 UNCH C6 7
2 7 2 9 1 23 1 0 0 0 0 0 0 -9.166220 -5.522200 17.381800 1XA 0 -0.15000 -0.15000 UNCH C7 8
2 8 1 10 2 24 1 0 0 0 0 0 0 -7.929270 -5.314970 16.766199 1XA 0 -0.15000 -0.15000 UNCH C8 9
2 1 1 5 1 9 2 0 0 0 0 0 0 -7.847040 -5.092720 15.388000 1XA 0 0.17900 0.17900 UNCH C81 10
3 3 1 12 1 14 1 15 1 0 0 0 0 -7.363640 -3.628050 11.576500 1XA 0 0.30010 0.30010 UNCH C31 11
3 11 1 16 1 17 1 18 1 0 0 0 0 -8.274040 -2.466610 11.213200 1XA 0 0.00000 0.00000 UNCH C32 12
16 4 1 20 1 0 0 0 0 0 0 0 0 -8.786080 -6.092850 12.509300 1XA 0 -0.68000 -0.68000 UNCH O4 13
41 11 1 0 0 0 0 0 0 0 0 0 0 -6.325540 -3.276590 11.533500 1XA 0 0.00000 0.00000 UNCH H31 14
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.464340 -4.445840 10.854900 1XA 0 0.00000 0.00000 UNCH H32 15
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.211380 -1.671140 11.963000 1XA 0 0.00000 0.00000 UNCH H33 16
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.984980 -2.048950 10.243700 1XA 0 0.00000 0.00000 UNCH H34 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.319550 -2.780450 11.141500 1XA 0 0.00000 0.00000 UNCH H35 18
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.693780 -4.265690 12.787000 1XA 0 0.00000 0.00000 UNCH H41 19
42 13 1 0 0 0 0 0 0 0 0 0 0 -7.851520 -6.341400 12.622400 1XA 0 0.40000 0.40000 UNCH H42 20
41 6 1 0 0 0 0 0 0 0 0 0 0 -11.171900 -5.313990 14.646500 1XA 0 0.15000 0.15000 UNCH H5 21
41 7 1 0 0 0 0 0 0 0 0 0 0 -11.295000 -5.690980 17.095100 1XA 0 0.15000 0.15000 UNCH H6 22
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.216620 -5.693990 18.454000 1XA 0 0.15000 0.15000 UNCH H7 23
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.020130 -5.331310 17.362000 1XA 0 0.15000 0.15000 UNCH H8 24
30 [DAVWEC,30,30,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
58 5 1 0 0 0 0 0 0 0 0 0 0 -5.973590 -5.395440 15.697500 1XA 0 -0.11000 -0.11000 DASR BR1 1
58 6 1 0 0 0 0 0 0 0 0 0 0 -8.848780 -7.136410 15.501000 1XA 0 -0.11000 -0.11000 DASR BR2 2
2 4 1 8 1 15 2 0 0 0 0 0 0 -8.652320 -2.658140 13.808600 1XA 0 0.44800 0.44800 DASR C1 3
3 3 1 5 1 9 1 12 1 0 0 0 0 -7.360710 -3.235530 14.396500 1XA 0 0.43940 0.43940 DASR C2 4
2 1 1 4 1 6 2 0 0 0 0 0 0 -7.553080 -4.656430 14.935600 1XA 0 -0.02820 -0.02820 DASR C3 5
2 2 1 5 2 7 1 0 0 0 0 0 0 -8.724340 -5.344650 14.885600 1XA 0 -0.02820 -0.02820 DASR C4 6
3 6 1 8 1 10 1 13 1 0 0 0 0 -10.048300 -4.742700 14.333500 1XA 0 0.37840 0.37840 DASR C5 7
3 3 1 7 1 11 1 14 1 0 0 0 0 -9.970290 -3.186260 14.382100 1XA 0 0.30120 0.30120 DASR C6 8
3 4 1 22 1 23 1 24 1 0 0 0 0 -6.826930 -2.244890 15.450100 1XA 0 0.00000 0.00000 DASR C7 9
3 7 1 25 1 26 1 27 1 0 0 0 0 -11.316200 -5.248680 15.082700 1XA 0 0.00000 0.00000 DASR C8 10
3 8 1 28 1 29 1 30 1 0 0 0 0 -10.117200 -2.655880 15.836500 1XA 0 0.00000 0.00000 DASR C9 11
31 4 1 16 1 17 2 0 0 0 0 0 0 -6.381560 -3.301370 13.214400 1XA 0 0.79980 0.79980 DASR N1 12
31 7 1 18 1 19 2 0 0 0 0 0 0 -10.098800 -5.246860 12.874200 1XA 0 0.79980 0.79980 DASR N2 13
31 8 1 20 1 21 2 0 0 0 0 0 0 -11.101900 -2.514340 13.598500 1XA 0 0.79980 0.79980 DASR N3 14
15 3 2 0 0 0 0 0 0 0 0 0 0 -8.616570 -1.724260 13.006500 1XA 0 -0.57000 -0.57000 DASR O1 15
18 12 1 0 0 0 0 0 0 0 0 0 0 -6.524760 -4.233070 12.411500 1XA 0 -0.52000 -0.52000 DASR O2 16
15 12 2 0 0 0 0 0 0 0 0 0 0 -5.488420 -2.445570 13.148400 1XA 0 -0.52000 -0.52000 DASR O3 17
18 13 1 0 0 0 0 0 0 0 0 0 0 -10.789500 -6.239620 12.619600 1XA 0 -0.52000 -0.52000 DASR O4 18
15 13 2 0 0 0 0 0 0 0 0 0 0 -9.390000 -4.645650 12.061000 1XA 0 -0.52000 -0.52000 DASR O5 19
18 14 1 0 0 0 0 0 0 0 0 0 0 -11.327200 -1.321360 13.841700 1XA 0 -0.52000 -0.52000 DASR O6 20
15 14 2 0 0 0 0 0 0 0 0 0 0 -11.785900 -3.207280 12.840800 1XA 0 -0.52000 -0.52000 DASR O7 21
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.400550 -2.297770 16.381001 1XA 0 0.00000 0.00000 DASR H1 22
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.891940 -1.207990 15.097400 1XA 0 0.00000 0.00000 DASR H2 23
41 9 1 0 0 0 0 0 0 0 0 0 0 -5.778270 -2.427610 15.711600 1XA 0 0.00000 0.00000 DASR H3 24
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.507800 -6.318730 14.946000 1XA 0 0.00000 0.00000 DASR H4 25
41 10 1 0 0 0 0 0 0 0 0 0 0 -12.227600 -4.744160 14.747100 1XA 0 0.00000 0.00000 DASR H5 26
41 10 1 0 0 0 0 0 0 0 0 0 0 -11.232200 -5.082660 16.162901 1XA 0 0.00000 0.00000 DASR H6 27
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.504810 -3.220570 16.546499 1XA 0 0.00000 0.00000 DASR H7 28
41 11 1 0 0 0 0 0 0 0 0 0 0 -11.153600 -2.712090 16.190901 1XA 0 0.00000 0.00000 DASR H8 29
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.806720 -1.606510 15.917000 1XA 0 0.00000 0.00000 DASR H9 30
35 [DAVXED,35,35,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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2 2 1 4 2 8 1 0 0 0 0 0 0 -8.045800 -4.507590 13.259100 1XA 0 -0.27640 -0.27640 UNCH C3 3
2 3 2 5 1 12 1 0 0 0 0 0 0 -7.760400 -4.609010 14.580400 1XA 0 0.06620 0.06620 UNCH C4 4
3 4 1 6 1 9 1 13 1 0 0 0 0 -8.666390 -4.349730 15.771600 1XA 0 0.37840 0.37840 UNCH C5 5
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31 4 1 18 1 19 2 0 0 0 0 0 0 -6.437160 -5.074030 14.948400 1XA 0 0.83560 0.83560 UNCH N2 12
31 5 1 20 1 21 2 0 0 0 0 0 0 -8.262170 -2.958330 16.295000 1XA 0 0.79980 0.79980 UNCH N3 13
31 6 1 22 1 23 2 0 0 0 0 0 0 -10.726000 -5.648540 15.294300 1XA 0 0.79980 0.79980 UNCH N4 14
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18 12 1 0 0 0 0 0 0 0 0 0 0 -5.718730 -4.271790 15.546000 1XA 0 -0.52000 -0.52000 UNCH O4 18
15 12 2 0 0 0 0 0 0 0 0 0 0 -6.167150 -6.247820 14.680300 1XA 0 -0.52000 -0.52000 UNCH O5 19
18 13 1 0 0 0 0 0 0 0 0 0 0 -8.242620 -2.044770 15.466300 1XA 0 -0.52000 -0.52000 UNCH O6 20
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41 7 1 0 0 0 0 0 0 0 0 0 0 -10.110200 -6.046570 12.193200 1XA 0 0.00000 0.00000 UNCH H10 33
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41 7 1 0 0 0 0 0 0 0 0 0 0 -11.120900 -4.747230 11.577100 1XA 0 0.00000 0.00000 UNCH H12 35
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 -8.053690 -4.575410 14.117100 1XA 0 -0.04000 -0.04000 DAWX C1 1
2 1 2 7 1 3 1 0 0 0 0 0 0 -9.197230 -4.490140 14.838000 1XA 0 -0.20500 -0.20500 DAWX C2 2
3 2 1 12 1 11 1 4 1 0 0 0 0 -9.396620 -5.971390 14.990600 1XA 0 0.73400 0.73400 DAWX C3 3
3 1 1 3 1 14 1 13 1 0 0 0 0 -8.117040 -6.138830 14.111600 1XA 0 0.73400 0.73400 DAWX C4 4
25 1 1 15 1 6 1 0 0 0 0 0 0 -7.181710 -3.750210 13.578300 1XA 0 -0.86710 -0.86710 DAWX N5 5
3 5 1 18 1 17 1 16 1 0 0 0 0 -6.128580 -4.171470 12.675400 1XA 0 0.36910 0.36910 DAWX C6 6
31 2 1 10 1 8 2 0 0 0 0 0 0 -9.898270 -3.354280 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 -3.551870 16.021299 1XA 0 -0.45300 -0.45300 DAWX N8 8
3 8 1 21 1 20 1 19 1 0 0 0 0 -11.557300 -2.299220 16.421600 1XA 0 0.24600 0.24600 DAWX C9 9
18 7 1 0 0 0 0 0 0 0 0 0 0 -9.440200 -2.229740 14.902100 1XA 0 -0.63300 -0.63300 DAWX O10 10
56 3 1 0 0 0 0 0 0 0 0 0 0 -10.531900 -6.505540 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 -6.487260 16.245600 1XA 0 -0.29800 -0.29800 DAWX F12 12
56 4 1 0 0 0 0 0 0 0 0 0 0 -8.302360 -6.741760 12.906400 1XA 0 -0.29800 -0.29800 DAWX F13 13
56 4 1 0 0 0 0 0 0 0 0 0 0 -7.083330 -6.803070 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 -6.549780 -4.502070 11.720700 1XA 0 0.00000 0.00000 DAWX H61 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.539660 -4.986680 13.108200 1XA 0 0.00000 0.00000 DAWX H62 17
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.452510 -3.333480 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 -1.669570 17.012300 1XA 0 0.00000 0.00000 DAWX H91 19
41 9 1 0 0 0 0 0 0 0 0 0 0 -12.421400 -2.533990 17.051001 1XA 0 0.00000 0.00000 DAWX H92 20
41 9 1 0 0 0 0 0 0 0 0 0 0 -11.925500 -1.739950 15.554500 1XA 0 0.00000 0.00000 DAWX H93 21
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 -8.270630 -1.259460 14.647400 1XA 0 -0.14000 -0.14000 DAWX CL1 1
16 3 1 10 1 0 0 0 0 0 0 0 0 -8.059590 -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 -4.853220 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 -3.422730 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 -2.960370 14.936200 1XA 0 0.11160 0.11160 DAWX C4 5
2 7 2 11 1 14 1 0 0 0 0 0 0 -9.832410 -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 -4.455430 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 -5.810490 12.644500 1XA 0 -0.15000 -0.15000 DAWX C7 8
2 8 2 10 1 17 1 0 0 0 0 0 0 -9.592930 -6.212760 13.682300 1XA 0 -0.15000 -0.15000 DAWX C8 9
2 2 1 9 1 11 2 0 0 0 0 0 0 -8.886970 -5.247920 14.401500 1XA 0 0.08250 0.08250 DAWX C9 10
2 5 1 6 1 10 2 0 0 0 0 0 0 -8.986780 -3.884390 14.117700 1XA 0 0.02840 0.02840 DAWX C10 11
15 3 2 0 0 0 0 0 0 0 0 0 0 -6.588330 -5.246020 17.124399 1XA 0 -0.57000 -0.57000 DAWX O11 12
41 4 1 0 0 0 0 0 0 0 0 0 0 -6.825910 -2.768880 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 -4.139180 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 -6.549990 12.074400 1XA 0 0.15000 0.15000 DAWX H7 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -9.492020 -7.265820 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 -7.154810 -4.062290 14.312100 1XA 0 1.51360 1.51360 UNCH P1 1
53 3 1 10 1 11 1 12 2 0 0 0 0 -9.826140 -4.185460 15.129800 1XA 0 1.51360 1.51360 UNCH P2 2
16 1 1 2 1 0 0 0 0 0 0 0 0 -8.701610 -4.281530 14.007400 1XA 0 -0.54240 -0.54240 UNCH O2 3
16 1 1 9 1 0 0 0 0 0 0 0 0 -6.725670 -5.246590 15.307800 1XA 0 -0.55120 -0.55120 UNCH O11 4
16 1 1 7 1 0 0 0 0 0 0 0 0 -6.450390 -4.495940 12.925800 1XA 0 -0.55120 -0.55120 UNCH O13 5
15 1 2 0 0 0 0 0 0 0 0 0 0 -6.794950 -2.680980 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 -5.836490 12.498500 1XA 0 0.28000 0.28000 UNCH C14 7
3 7 1 9 1 18 1 19 1 0 0 0 0 -6.118160 -6.798290 13.568700 1XA 0 0.00000 0.00000 UNCH C15 8
3 4 1 8 1 20 1 21 1 0 0 0 0 -6.880940 -6.581790 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 -9.806870 -2.666340 15.649500 1XA 0 -0.55120 -0.55120 UNCH O23 11
15 2 2 0 0 0 0 0 0 0 0 0 0 -9.741680 -5.235010 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 -1.635710 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 -1.854330 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 -3.206130 13.345700 1XA 0 0.28000 0.28000 UNCH C26 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -7.660880 -6.017140 12.252300 1XA 0 0.00000 0.00000 UNCH H141 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -6.026620 -5.969200 11.581600 1XA 0 0.00000 0.00000 UNCH H142 17
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41 8 1 0 0 0 0 0 0 0 0 0 0 -5.054430 -6.604150 13.751900 1XA 0 0.00000 0.00000 UNCH H152 19
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41 13 1 0 0 0 0 0 0 0 0 0 0 -10.059200 -0.682507 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 -1.602490 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 -1.052050 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 -1.838170 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 -3.374350 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 -8.008590 -4.683810 13.744100 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 -9.441060 -4.660910 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 -4.652580 11.794900 1XA 0 -0.20000 -0.20000 UNCH C3 4
3 3 1 4 1 18 1 19 1 0 0 0 0 -9.981670 -5.897720 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 -3.937440 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 -3.278820 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 -4.108790 15.663600 1XA 0 0.00000 0.00000 UNCH C6 8
3 8 1 10 1 20 1 21 1 0 0 0 0 -11.195000 -3.523380 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 -8.734550 -4.131640 16.108801 1XA 0 0.57000 0.57000 UNCH C9 11
15 11 2 0 0 0 0 0 0 0 0 0 0 -8.420830 -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 -7.710960 -3.974090 15.028000 1XA 0 0.00000 0.00000 UNCH C10 13
3 13 1 15 1 24 1 25 1 0 0 0 0 -6.249730 -3.785280 15.432500 1XA 0 -0.20000 -0.20000 UNCH C11 14
3 13 1 14 1 26 1 27 1 0 0 0 0 -7.025670 -2.612420 14.920400 1XA 0 -0.20000 -0.20000 UNCH C12 15
41 4 1 0 0 0 0 0 0 0 0 0 0 -8.863580 -4.658260 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 -4.092530 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 -6.177540 12.735300 1XA 0 0.10000 0.10000 UNCH H3 18
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.317610 -6.742760 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 -2.970230 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 -3.146840 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 15.854600 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 -5.995670 -3.808720 16.487400 1XA 0 0.10000 0.10000 UNCH H9 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -5.476460 -4.203630 14.796100 1XA 0 0.10000 0.10000 UNCH H10 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -6.768320 -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 -1.837820 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 1.257540 0.336310 1XA 0 -0.57000 -0.57000 DEBM O1 1
16 5 1 9 1 0 0 0 0 0 0 0 0 14.571400 3.451980 0.789062 1XA 0 -0.65000 -0.65000 DEBM O2 2
18 8 1 0 0 0 0 0 0 0 0 0 0 15.370600 4.747460 2.628190 1XA 0 -0.90000 -0.90000 DEBM O3 3
15 8 2 0 0 0 0 0 0 0 0 0 0 16.355801 4.507390 4.679810 1XA 0 -0.90000 -0.90000 DEBM O4 4
2 1 2 2 1 6 1 0 0 0 0 0 0 14.789200 2.168720 1.098180 1XA 0 0.70560 0.70560 DEBM C1 5
2 5 1 7 2 10 1 0 0 0 0 0 0 15.422200 1.850280 2.397090 1XA 0 -0.13560 -0.13560 DEBM C2 6
2 6 2 8 1 11 1 0 0 0 0 0 0 15.865600 2.595260 3.420550 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 3.595380 1XA 0 1.05000 1.05000 DEBM C4 8
42 2 1 0 0 0 0 0 0 0 0 0 0 14.874500 4.088720 1.503680 1XA 0 0.50000 0.50000 DEBM H1 9
41 6 1 0 0 0 0 0 0 0 0 0 0 15.532500 0.772824 2.503420 1XA 0 0.15000 0.15000 DEBM H2 10
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16 2 1 9 1 0 0 0 0 0 0 0 0 0.352000 3.206600 5.145840 1XA 0 -0.01910 -0.01910 UNCH O1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -0.862677 3.825310 5.449110 1XA 0 -0.40970 -0.40970 UNCH N2 2
2 2 2 4 1 13 1 0 0 0 0 0 0 -1.063420 4.696340 4.462790 1XA 0 0.35080 0.35080 UNCH C3 3
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3 4 1 6 1 14 1 15 1 0 0 0 0 0.296956 5.513760 2.328680 1XA 0 0.18100 0.18100 UNCH C4 5
3 5 1 7 1 16 1 17 1 0 0 0 0 1.830290 5.609010 2.163510 1XA 0 0.50300 0.50300 UNCH C5 6
32 6 1 8 1 18 1 19 1 0 0 0 0 2.485030 4.277170 2.232600 1XA 0 -0.90600 -0.90600 UNCH N6 7
3 7 1 9 1 10 1 20 1 0 0 0 0 2.138990 3.339820 3.446840 1XA 0 0.57700 0.57700 UNCH C7 8
2 1 1 4 2 8 1 0 0 0 0 0 0 0.826894 3.743470 3.997760 1XA 0 -0.04000 -0.04000 UNCH C71 9
2 8 1 11 2 12 1 0 0 0 0 0 0 2.063660 1.883370 2.883190 1XA 0 0.90600 0.90600 UNCH C8 10
15 10 2 0 0 0 0 0 0 0 0 0 0 1.959510 1.933230 1.606760 1XA 0 -0.90000 -0.90000 UNCH O81 11
18 10 1 0 0 0 0 0 0 0 0 0 0 2.218830 0.931496 3.676040 1XA 0 -0.90000 -0.90000 UNCH O82 12
16 3 1 21 1 0 0 0 0 0 0 0 0 -2.178960 5.430370 4.511820 1XA 0 -0.51200 -0.51200 UNCH O3 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -0.140874 5.033600 1.445630 1XA 0 0.00000 0.00000 UNCH H41 14
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41 6 1 0 0 0 0 0 0 0 0 0 0 2.092190 6.044860 1.194790 1XA 0 0.00000 0.00000 UNCH H55 17
44 7 1 0 0 0 0 0 0 0 0 0 0 2.165420 3.635000 1.458580 1XA 0 0.45000 0.45000 UNCH H61 18
44 7 1 0 0 0 0 0 0 0 0 0 0 3.501680 4.277880 2.115740 1XA 0 0.45000 0.45000 UNCH H65 19
41 8 1 0 0 0 0 0 0 0 0 0 0 2.953330 3.468410 4.164880 1XA 0 0.00000 0.00000 UNCH H71 20
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25 2 1 10 1 15 1 0 0 0 0 0 0 -8.905990 -3.063680 14.860800 1XA 0 -0.83820 -0.83820 UNCH N1 1
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2 2 2 4 1 11 1 0 0 0 0 0 0 -8.980560 -4.614440 13.020500 1XA 0 0.02880 0.02880 UNCH C3 3
2 3 1 5 1 14 2 0 0 0 0 0 0 -8.442380 -5.661540 13.928900 1XA 0 0.61560 0.61560 UNCH C4 4
25 4 1 6 1 10 1 0 0 0 0 0 0 -8.128430 -5.289060 15.232000 1XA 0 -0.66020 -0.66020 UNCH N5 5
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26 [DECRIM,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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27 [DEFTUD,27,27,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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2 3 1 8 2 5 1 0 0 0 0 0 0 -6.562980 -4.263710 14.275000 1XA 0 0.71100 0.71100 DEFT C4 4
25 4 1 7 1 6 1 0 0 0 0 0 0 -5.211280 -4.094960 13.982600 1XA 0 -0.78820 -0.78820 DEFT N41 5
3 5 1 24 1 23 1 22 1 0 0 0 0 -4.370920 -5.266840 13.764700 1XA 0 0.36910 0.36910 DEFT C42 6
3 5 1 27 1 26 1 25 1 0 0 0 0 -4.739180 -2.857830 13.377500 1XA 0 0.36910 0.36910 DEFT C43 7
25 4 2 9 1 0 0 0 0 0 0 0 0 -7.005990 -5.444810 14.554700 1XA 0 -0.66100 -0.66100 DEFT N5 8
2 1 1 8 1 10 2 0 0 0 0 0 0 -8.328290 -5.604910 14.843500 1XA 0 0.84100 0.84100 DEFT C6 9
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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
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41 6 1 0 0 0 0 0 0 0 0 0 0 -4.487140 -5.993570 14.575900 1XA 0 0.00000 0.00000 DEFT H422 23
41 6 1 0 0 0 0 0 0 0 0 0 0 -4.627790 -5.749380 12.816000 1XA 0 0.00000 0.00000 DEFT H423 24
41 7 1 0 0 0 0 0 0 0 0 0 0 -3.645310 -2.802330 13.383300 1XA 0 0.00000 0.00000 DEFT H431 25
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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 -8.434230 -2.823760 13.397700 1XA 0 -0.09300 -0.09300 DEFV N1 1
31 1 2 10 1 3 1 0 0 0 0 0 0 -9.693410 -2.394290 13.455500 1XA 0 0.39300 0.39300 DEFV N2 2
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25 6 1 9 1 8 1 0 0 0 0 0 0 -6.351300 -1.630900 13.647500 1XA 0 -0.78820 -0.78820 DEFV N51 7
3 7 1 27 1 26 1 25 1 0 0 0 0 -5.585900 -2.874060 13.715900 1XA 0 0.36910 0.36910 DEFV C52 8
3 7 1 30 1 29 1 28 1 0 0 0 0 -5.622590 -0.433704 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 -3.042930 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 -4.380320 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 -4.716170 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 -6.016770 15.453000 1XA 0 -0.15000 -0.15000 DEFV C24 13
2 13 1 17 1 15 2 0 0 0 0 0 0 -10.642400 -7.008220 14.787100 1XA 0 -0.14350 -0.14350 DEFV C25 14
2 14 2 20 1 16 1 0 0 0 0 0 0 -9.953380 -6.675910 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 -5.375970 13.107500 1XA 0 -0.15000 -0.15000 DEFV C27 16
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41 12 1 0 0 0 0 0 0 0 0 0 0 -12.010900 -3.979470 15.493400 1XA 0 0.15000 0.15000 DEFV H23 18
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41 17 1 0 0 0 0 0 0 0 0 0 0 -10.441700 -9.136630 14.547900 1XA 0 0.00000 0.00000 DEFV H283 24
41 8 1 0 0 0 0 0 0 0 0 0 0 -5.971650 -3.611890 13.004700 1XA 0 0.00000 0.00000 DEFV H521 25
41 8 1 0 0 0 0 0 0 0 0 0 0 -4.532720 -2.710080 13.464600 1XA 0 0.00000 0.00000 DEFV H522 26
41 8 1 0 0 0 0 0 0 0 0 0 0 -5.640390 -3.295330 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 0.461649 13.581300 1XA 0 0.00000 0.00000 DEFV H531 28
41 9 1 0 0 0 0 0 0 0 0 0 0 -5.703010 -0.308079 15.157100 1XA 0 0.00000 0.00000 DEFV H532 29
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43 10 1 0 0 0 0 0 0 0 0 0 0 -11.661400 -2.583070 13.541100 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 4.535130 0.775306 0.619013 1XA 0 -0.38000 -0.38000 UNCH S1 1
49 4 1 10 1 0 0 0 0 0 0 0 0 7.425990 0.816394 1.203240 1XA 0 -0.32100 -0.32100 UNCH S2 2
25 6 1 11 1 12 1 0 0 0 0 0 0 3.546310 -2.083700 1.763320 1XA 0 -0.90000 -0.90000 UNCH N1 3
2 1 2 2 1 5 1 0 0 0 0 0 0 5.866780 -0.016475 1.280780 1XA 0 0.50660 0.50660 UNCH C1 4
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41 2 1 0 0 0 0 0 0 0 0 0 0 6.947630 1.918560 0.608368 1XA 0 0.18000 0.18000 UNCH H3 10
43 3 1 0 0 0 0 0 0 0 0 0 0 3.079100 -2.945320 1.492260 1XA 0 0.40000 0.40000 UNCH H1 11
43 3 1 0 0 0 0 0 0 0 0 0 0 3.343950 -1.308400 1.129950 1XA 0 0.40000 0.40000 UNCH H2 12
41 7 1 0 0 0 0 0 0 0 0 0 0 4.641440 -3.850500 3.500270 1XA 0 0.00000 0.00000 UNCH H41 13
41 7 1 0 0 0 0 0 0 0 0 0 0 5.390590 -4.302320 1.948060 1XA 0 0.00000 0.00000 UNCH H42 14
41 8 1 0 0 0 0 0 0 0 0 0 0 6.583850 -2.862770 4.325220 1XA 0 0.00000 0.00000 UNCH H51 15
41 8 1 0 0 0 0 0 0 0 0 0 0 7.376370 -4.013210 3.245580 1XA 0 0.00000 0.00000 UNCH H52 16
41 9 1 0 0 0 0 0 0 0 0 0 0 7.752410 -1.311930 3.079300 1XA 0 0.00000 0.00000 UNCH H61 17
41 9 1 0 0 0 0 0 0 0 0 0 0 7.806590 -2.331720 1.614640 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 -3.058580 13.459600 1XA 0 -0.19900 -0.19900 DEGL CL1 1
25 8 1 7 1 4 1 0 0 0 0 0 0 -9.567330 -2.746320 13.502500 1XA 0 -0.75440 -0.75440 DEGL N1 2
31 6 1 5 1 4 2 0 0 0 0 0 0 -8.812710 -4.680010 14.604200 1XA 0 -0.83340 -0.83340 DEGL N2 3
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43 2 1 0 0 0 0 0 0 0 0 0 0 -10.545900 -2.895880 13.683900 1XA 0 0.45000 0.45000 DEGL H3 7
43 2 1 0 0 0 0 0 0 0 0 0 0 -9.282690 -1.926770 12.979500 1XA 0 0.45000 0.45000 DEGL H4 8
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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 -7.985720 -5.711390 17.057899 1XA 0 -0.15000 -0.15000 DEGR C1 1
2 1 2 3 1 16 1 0 0 0 0 0 0 -6.595870 -5.750710 16.892500 1XA 0 -0.14350 -0.14350 DEGR C2 2
2 2 1 4 2 21 1 0 0 0 0 0 0 -5.918130 -4.574290 16.556900 1XA 0 -0.15000 -0.15000 DEGR C3 3
2 3 2 5 1 22 1 0 0 0 0 0 0 -6.620510 -3.381960 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 -3.337880 16.521900 1XA 0 0.10000 0.10000 DEGR C5 5
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3 18 1 19 1 30 1 31 1 0 0 0 0 -9.981370 -2.097110 17.014700 1XA 0 0.73820 0.73820 DEGR C15 15
3 2 1 32 1 33 1 34 1 0 0 0 0 -5.837570 -7.022740 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 -8.701630 -2.116580 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 -3.223910 16.580700 1XA 0 -0.83820 -0.83820 DEGR N2 19
41 1 1 0 0 0 0 0 0 0 0 0 0 -8.521950 -6.617280 17.333200 1XA 0 0.15000 0.15000 DEGR H1 20
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41 15 1 0 0 0 0 0 0 0 0 0 0 -10.506200 -1.148780 16.830900 1XA 0 0.00000 0.00000 DEGR H151 30
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41 16 1 0 0 0 0 0 0 0 0 0 0 -4.932490 -7.059380 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 -7.894650 16.865900 1XA 0 0.00000 0.00000 DEGR H162 33
41 16 1 0 0 0 0 0 0 0 0 0 0 -5.552140 -7.096480 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 -2.354710 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 -3.336250 10.667800 1XA 0 0.00000 0.00000 DEGR H172 36
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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 -4.666540 14.358400 1XA 0 -0.66020 -0.66020 CHGB N1 1
3 1 1 17 1 16 1 15 1 0 0 0 0 -8.072890 -5.640780 13.312300 1XA 0 0.30010 0.30010 CHGB C1 2
2 1 1 5 1 4 2 0 0 0 0 0 0 -6.656920 -4.188480 14.751400 1XA 0 0.69000 0.69000 CHGB C2 3
15 3 2 0 0 0 0 0 0 0 0 0 0 -5.562710 -4.633240 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 -3.129670 15.576800 1XA 0 -0.49000 -0.49000 CHGB N3 5
2 5 1 8 1 7 2 0 0 0 0 0 0 -8.160520 -2.805310 15.674600 1XA 0 0.56900 0.56900 CHGB C4 6
15 6 2 0 0 0 0 0 0 0 0 0 0 -8.576330 -1.899350 16.386299 1XA 0 -0.57000 -0.57000 CHGB O4 7
3 1 1 6 1 14 1 9 1 0 0 0 0 -8.953970 -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 -9.625320 -3.059270 13.616600 1XA 0 0.28900 0.28900 CHGB C6 9
15 9 2 0 0 0 0 0 0 0 0 0 0 -9.037520 -2.397330 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 -3.321610 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 -4.137640 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 -4.592580 15.057800 1XA 0 -0.57000 -0.57000 CHGB O8 13
16 8 1 12 1 0 0 0 0 0 0 0 0 -9.988760 -4.477310 15.367000 1XA 0 -0.43000 -0.43000 CHGB O9 14
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.199720 -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 -8.961930 -6.240400 13.523100 1XA 0 0.00000 0.00000 CHGB H12 16
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.183760 -5.127620 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 -2.620020 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 -7.744520 -3.791630 15.285200 1XA 0 -0.12600 -0.12600 UNCH N1 1
25 1 2 3 1 0 0 0 0 0 0 0 0 -7.195920 -4.291790 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 -5.223080 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 -5.668470 13.760900 1XA 0 0.63900 0.63900 UNCH C4 4
25 4 1 6 1 9 1 0 0 0 0 0 0 -9.675610 -5.067550 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 -5.247180 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 -4.501880 16.524200 1XA 0 -0.56530 -0.56530 UNCH N7 7
2 7 1 9 2 14 1 0 0 0 0 0 0 -9.863910 -3.797050 16.661400 1XA 0 0.14120 0.14120 UNCH C8 8
2 1 1 5 1 8 2 0 0 0 0 0 0 -8.997730 -4.150160 15.637200 1XA 0 -0.02560 -0.02560 UNCH C810 9
3 3 1 11 1 17 1 18 1 0 0 0 0 -7.146280 -5.730780 12.351100 1XA 0 0.30010 0.30010 UNCH C31 10
3 10 1 12 1 19 1 20 1 0 0 0 0 -7.645730 -5.154150 11.027800 1XA 0 0.29000 0.29000 UNCH C32 11
57 11 1 0 0 0 0 0 0 0 0 0 0 -7.322680 -3.406010 10.909200 1XA 0 -0.29000 -0.29000 UNCH CL1 12
15 4 2 0 0 0 0 0 0 0 0 0 0 -9.809620 -6.477360 13.124500 1XA 0 -0.57000 -0.57000 UNCH O4 13
2 8 1 15 1 16 2 0 0 0 0 0 0 -9.630070 -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 -8.422610 -2.197840 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
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2 4 1 15 1 6 2 0 0 0 0 0 0 -9.032480 -3.555890 11.967100 1XA 0 -0.15000 -0.15000 DICP C5 5
2 5 2 16 1 7 1 0 0 0 0 0 0 -7.680520 -3.838740 11.792000 1XA 0 -0.15000 -0.15000 DICP C6 6
2 6 1 17 1 8 2 0 0 0 0 0 0 -6.941770 -4.367590 12.846700 1XA 0 -0.15000 -0.15000 DICP C7 7
2 3 1 7 2 18 1 0 0 0 0 0 0 -7.555690 -4.614070 14.078000 1XA 0 -0.15000 -0.15000 DICP C8 8
31 1 2 12 1 11 1 0 0 0 0 0 0 -10.818000 -4.937240 15.727400 1XA 0 0.95300 0.95300 DICP N1 9
25 2 2 11 1 0 0 0 0 0 0 0 0 -9.861480 -4.854220 17.806299 1XA 0 -0.40970 -0.40970 DICP N2 10
16 9 1 10 1 0 0 0 0 0 0 0 0 -11.055500 -5.111860 17.136200 1XA 0 -0.11710 -0.11710 DICP O1 11
18 9 1 0 0 0 0 0 0 0 0 0 0 -11.800000 -5.144530 14.976500 1XA 0 -0.63300 -0.63300 DICP O2 12
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.966810 -4.305520 17.158501 1XA 0 0.15000 0.15000 DICP H2 13
41 4 1 0 0 0 0 0 0 0 0 0 0 -10.705600 -3.559970 13.295200 1XA 0 0.15000 0.15000 DICP H4 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.612370 -3.143190 11.144800 1XA 0 0.15000 0.15000 DICP H5 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.204270 -3.648490 10.833400 1XA 0 0.15000 0.15000 DICP H6 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.886570 -4.592040 12.710400 1XA 0 0.15000 0.15000 DICP H7 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.950430 -5.037760 14.876300 1XA 0 0.15000 0.15000 DICP H8 18
18 [DICRAI,18,18,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 9 2 3 1 2 1 0 0 0 0 0 0 -9.826290 -4.827280 13.796900 1XA 0 0.23480 0.23480 DICR C1 1
2 1 1 13 1 10 2 0 0 0 0 0 0 -9.302500 -5.347130 12.592300 1XA 0 -0.23200 -0.23200 DICR C2 2
2 1 1 8 1 4 2 0 0 0 0 0 0 -9.170570 -3.948390 14.772200 1XA 0 0.05400 0.05400 DICR C3 3
2 3 2 14 1 5 1 0 0 0 0 0 0 -7.851750 -3.506570 14.581500 1XA 0 -0.15000 -0.15000 DICR C4 4
2 4 1 15 1 6 2 0 0 0 0 0 0 -7.235530 -2.668900 15.517200 1XA 0 -0.15000 -0.15000 DICR C5 5
2 5 2 16 1 7 1 0 0 0 0 0 0 -7.927470 -2.261580 16.654800 1XA 0 -0.15000 -0.15000 DICR C6 6
2 6 1 17 1 8 2 0 0 0 0 0 0 -9.235790 -2.690180 16.859800 1XA 0 -0.15000 -0.15000 DICR C7 7
2 3 1 7 2 18 1 0 0 0 0 0 0 -9.852630 -3.527180 15.925600 1XA 0 -0.15000 -0.15000 DICR C8 8
25 1 2 11 1 0 0 0 0 0 0 0 0 -11.086700 -5.254960 13.970300 1XA 0 -0.40970 -0.40970 DICR N1 9
31 2 2 12 1 11 1 0 0 0 0 0 0 -10.252900 -6.093300 12.035300 1XA 0 0.95300 0.95300 DICR N2 10
16 9 1 10 1 0 0 0 0 0 0 0 0 -11.399600 -6.057890 12.882200 1XA 0 -0.11710 -0.11710 DICR O1 11
18 10 1 0 0 0 0 0 0 0 0 0 0 -10.331800 -6.771530 10.988500 1XA 0 -0.63300 -0.63300 DICR O2 12
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.337150 -5.219340 12.135100 1XA 0 0.15000 0.15000 DICR H2 13
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.276650 -3.800720 13.708000 1XA 0 0.15000 0.15000 DICR H4 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -6.213390 -2.334220 15.356800 1XA 0 0.15000 0.15000 DICR H5 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.447860 -1.610570 17.381500 1XA 0 0.15000 0.15000 DICR H6 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.780190 -2.374830 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 -3.846660 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 -8.861470 -4.924430 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 -3.296820 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 -7.556640 -4.870610 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 -5.652430 15.918000 1XA 0 -0.08050 -0.08050 UNCH C3 5
3 2 1 17 1 18 1 19 1 0 0 0 0 -8.533720 -2.320970 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 -2.575010 13.671400 1XA 0 0.27000 0.27000 UNCH C5 7
41 3 1 0 0 0 0 0 0 0 0 0 0 -9.990390 -7.017580 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 -5.623360 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 -7.188510 -5.877040 12.794100 1XA 0 0.00000 0.00000 UNCH H21 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -6.703890 -4.258810 13.324600 1XA 0 0.00000 0.00000 UNCH H22 12
41 4 1 0 0 0 0 0 0 0 0 0 0 -7.961260 -4.447780 12.090600 1XA 0 0.00000 0.00000 UNCH H23 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.852640 -6.696280 15.759000 1XA 0 0.00000 0.00000 UNCH H31 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.868180 -5.622330 16.734200 1XA 0 0.00000 0.00000 UNCH H32 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.248070 -5.103660 16.234600 1XA 0 0.00000 0.00000 UNCH H33 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.055580 -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 -9.100790 -1.453070 15.687500 1XA 0 0.00000 0.00000 UNCH H42 18
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.746430 -1.965630 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 -3.198590 13.289100 1XA 0 0.00000 0.00000 UNCH H51 20
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.615890 -2.246610 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 -1.694090 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 -5.301030 -4.432890 12.081200 1XA 0 -0.20900 -0.20900 UNCH CL1 1
57 10 1 0 0 0 0 0 0 0 0 0 0 -7.439060 -6.915390 14.954500 1XA 0 -0.29000 -0.29000 UNCH CL2 2
57 10 1 0 0 0 0 0 0 0 0 0 0 -4.679130 -6.033520 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 -3.977660 16.742599 1XA 0 -0.20900 -0.20900 UNCH CL4 4
15 9 2 0 0 0 0 0 0 0 0 0 0 -6.646150 -6.697410 12.150800 1XA 0 -0.57000 -0.57000 UNCH O1 5
15 11 2 0 0 0 0 0 0 0 0 0 0 -6.146420 -3.538920 15.491800 1XA 0 -0.57000 -0.57000 UNCH O2 6
25 11 1 12 2 0 0 0 0 0 0 0 0 -8.015580 -3.931110 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 -3.326770 14.546600 1XA 0 -0.78820 -0.78820 UNCH N2 8
2 1 1 5 2 10 1 0 0 0 0 0 0 -6.189720 -5.763590 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 -5.669240 14.327500 1XA 0 0.70200 0.70200 UNCH C2 10
2 6 2 7 1 10 1 0 0 0 0 0 0 -6.800930 -4.298340 14.781600 1XA 0 0.72000 0.72000 UNCH C3 11
2 4 1 7 2 8 1 0 0 0 0 0 0 -9.027040 -3.724030 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 -3.063180 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 -4.340460 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 -3.104750 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 -1.699270 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 -2.607390 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 -5.101690 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 -4.133150 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 -4.767310 14.652000 1XA 0 0.00000 0.00000 UNCH H63 21
41 15 1 0 0 0 0 0 0 0 0 0 0 -9.888150 -3.844850 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 -8.954970 -1.534260 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 -1.535780 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 -0.944718 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 -6.894450 -4.099640 12.922900 1XA 0 -0.21700 -0.21700 DICY O1 1
16 10 1 14 1 0 0 0 0 0 0 0 0 -9.247250 -2.533090 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 -3.601210 13.227300 1XA 0 -0.68000 -0.68000 DICY O3 3
15 12 2 0 0 0 0 0 0 0 0 0 0 -9.786680 -6.013980 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 -5.548320 14.564500 1XA 0 -0.43000 -0.43000 DICY O5 5
25 1 1 7 2 0 0 0 0 0 0 0 0 -5.674070 -4.354690 13.592700 1XA 0 -0.51300 -0.51300 DICY N2 6
2 6 2 8 1 16 1 0 0 0 0 0 0 -5.445530 -3.335030 14.347300 1XA 0 0.32900 0.32900 DICY C3 7
3 7 1 9 1 17 1 18 1 0 0 0 0 -6.456070 -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 -7.566770 -3.038480 13.619100 1XA 0 0.28000 0.28000 DICY C5 9
3 2 1 9 1 11 1 20 1 0 0 0 0 -8.584040 -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 -9.633610 -4.490690 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 -6.411320 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 -2.250120 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 -4.153160 12.969600 1XA 0 0.40000 0.40000 DICY H3 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -4.546020 -3.231380 14.969700 1XA 0 0.06000 0.06000 DICY H31 16
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.695470 -1.864370 15.277600 1XA 0 0.00000 0.00000 DICY H41 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.064020 -1.455790 13.655800 1XA 0 0.00000 0.00000 DICY H42 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.078810 -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 -8.054630 -4.212010 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 -5.142550 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 -6.423440 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 -6.035380 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 -6.033780 16.142099 1XA 0 0.37200 0.37200 DIFS S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -10.097200 -5.831620 17.332899 1XA 0 -0.50000 -0.50000 DIFS O1 2
18 7 1 0 0 0 0 0 0 0 0 0 0 -8.118890 -6.988610 13.389000 1XA 0 -0.52000 -0.52000 DIFS O2 3
15 7 2 0 0 0 0 0 0 0 0 0 0 -7.556290 -5.034640 12.545700 1XA 0 -0.52000 -0.52000 DIFS O3 4
18 8 1 0 0 0 0 0 0 0 0 0 0 -6.420220 -7.067650 16.684700 1XA 0 -0.52000 -0.52000 DIFS O4 5
15 8 2 0 0 0 0 0 0 0 0 0 0 -5.165350 -6.285760 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 -5.812170 13.089300 1XA 0 0.90700 0.90700 DIFS N1 7
31 5 1 6 2 16 1 0 0 0 0 0 0 -6.038020 -6.167140 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 -5.344930 14.734800 1XA 0 0.06400 0.06400 DIFS C1 9
2 7 1 9 2 11 1 0 0 0 0 0 0 -9.656530 -5.287530 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 -4.234860 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 -4.304910 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 -4.856980 14.961100 1XA 0 -0.15000 -0.15000 DIFS C6 14
2 1 1 16 2 20 1 0 0 0 0 0 0 -8.009920 -4.664290 16.249901 1XA 0 0.06400 0.06400 DIFS C7 15
2 8 1 15 2 17 1 0 0 0 0 0 0 -6.625520 -4.845060 16.100300 1XA 0 0.13300 0.13300 DIFS C8 16
2 16 1 18 2 25 1 0 0 0 0 0 0 -5.737670 -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 -6.230150 -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 -7.595670 -2.279180 16.566200 1XA 0 -0.15000 -0.15000 DIFS C11 19
2 15 1 19 2 28 1 0 0 0 0 0 0 -8.476180 -3.364070 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 -4.682140 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 -3.803270 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 -3.930110 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 -4.898760 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 -5.548130 -1.626140 16.412600 1XA 0 0.15000 0.15000 DIFS H10 26
41 19 1 0 0 0 0 0 0 0 0 0 0 -7.979010 -1.280270 16.766001 1XA 0 0.15000 0.15000 DIFS H11 27
41 20 1 0 0 0 0 0 0 0 0 0 0 -9.535880 -3.184140 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 -9.096440 -6.976510 16.098499 1XA 0 -0.75000 -0.75000 CHGB S1 1
51 4 1 0 0 0 0 0 0 0 0 0 0 -9.094050 -4.156140 17.117701 1XA 0 -0.75000 -0.75000 CHGB S2 2
25 4 1 5 1 6 1 0 0 0 0 0 0 -9.095490 -4.925060 14.556600 1XA 0 -0.66600 -0.66600 CHGB N1 3
2 1 2 2 1 3 1 0 0 0 0 0 0 -9.095310 -5.291260 15.844700 1XA 0 0.79600 0.79600 CHGB C1 4
43 3 1 0 0 0 0 0 0 0 0 0 0 -9.096230 -5.580130 13.776500 1XA 0 0.37000 0.37000 CHGB H1 5
25 3 1 7 1 8 1 0 0 0 0 0 0 -9.094630 -3.542440 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 -3.176240 12.865800 1XA 0 0.79600 0.79600 CHGB C1E 7
43 6 1 0 0 0 0 0 0 0 0 0 0 -9.093880 -2.887360 14.934000 1XA 0 0.37000 0.37000 CHGB H1E 8
49 7 2 0 0 0 0 0 0 0 0 0 0 -9.093670 -1.490990 12.612000 1XA 0 -0.75000 -0.75000 CHGB S1E 9
51 7 1 0 0 0 0 0 0 0 0 0 0 -9.096060 -4.311360 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 -4.145080 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 -3.254910 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 -4.209010 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 -4.294980 16.535900 1XA 0 0.66200 0.66200 UNCH C21 5
3 3 1 10 1 11 1 12 1 0 0 0 0 -8.806930 -4.862120 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 -4.284970 17.786800 1XA 0 0.00000 0.00000 UNCH H21 8
41 4 1 0 0 0 0 0 0 0 0 0 0 -13.585500 -5.213310 16.267401 1XA 0 0.00000 0.00000 UNCH H31 9
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.158470 -4.681480 15.646000 1XA 0 0.00000 0.00000 UNCH H41 10
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.350120 -5.665980 14.197400 1XA 0 0.00000 0.00000 UNCH H51 11
3 6 1 13 1 14 1 15 1 0 0 0 0 -8.961060 -3.605490 13.927600 1XA 0 0.23000 0.23000 UNCH C31A 12
49 12 1 16 1 0 0 0 0 0 0 0 0 -7.350360 -2.959320 13.367200 1XA 0 -0.37100 -0.37100 UNCH S31A 13
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.609520 -3.786140 13.064300 1XA 0 0.00000 0.00000 UNCH H41A 14
41 12 1 0 0 0 0 0 0 0 0 0 0 -9.417870 -2.801630 14.513000 1XA 0 0.00000 0.00000 UNCH H51A 15
2 13 1 17 2 18 1 0 0 0 0 0 0 -6.907620 -4.172640 12.174500 1XA 0 0.66200 0.66200 UNCH C21A 16
49 16 2 0 0 0 0 0 0 0 0 0 0 -7.652630 -4.322530 10.685400 1XA 0 -0.38000 -0.38000 UNCH S11A 17
49 16 1 19 1 0 0 0 0 0 0 0 0 -5.584710 -5.212710 12.682900 1XA 0 -0.37100 -0.37100 UNCH S21A 18
3 18 1 20 1 21 1 22 1 0 0 0 0 -4.204350 -4.258610 12.011500 1XA 0 0.23000 0.23000 UNCH C11A 19
41 19 1 0 0 0 0 0 0 0 0 0 0 -3.265960 -4.762020 12.259000 1XA 0 0.00000 0.00000 UNCH H11A 20
41 19 1 0 0 0 0 0 0 0 0 0 0 -4.279070 -4.182640 10.923500 1XA 0 0.00000 0.00000 UNCH H21A 21
41 19 1 0 0 0 0 0 0 0 0 0 0 -4.182450 -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 -0.206384 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 0.300270 12.667200 1XA 0 -0.40790 -0.40790 UNCH O2 2
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41 5 1 0 0 0 0 0 0 0 0 0 0 -8.951590 -4.233440 17.783100 1XA 0 0.15000 0.15000 UNCH H1 14
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57 15 1 0 0 0 0 0 0 0 0 0 0 -10.874500 -4.932480 17.004499 1XA 0 -0.29000 -0.29000 DIHW CL2 2
57 15 1 0 0 0 0 0 0 0 0 0 0 -10.927300 -7.661110 16.073299 1XA 0 -0.29000 -0.29000 DIHW CL3 3
49 6 2 7 2 8 1 9 1 0 0 0 0 -9.732300 -3.152520 13.959600 1XA 0 1.33900 1.33900 DIHW S1 4
15 14 2 0 0 0 0 0 0 0 0 0 0 -8.643080 -6.693190 14.579700 1XA 0 -0.57000 -0.57000 DIHW O1 5
15 4 2 0 0 0 0 0 0 0 0 0 0 -10.446000 -2.436750 14.985600 1XA 0 -0.65000 -0.65000 DIHW O2 6
15 4 2 0 0 0 0 0 0 0 0 0 0 -10.313400 -3.574890 12.710000 1XA 0 -0.65000 -0.65000 DIHW O3 7
25 4 1 10 1 14 1 0 0 0 0 0 0 -8.906340 -4.422800 14.645000 1XA 0 -0.68130 -0.68130 DIHW N1 8
3 4 1 10 1 11 1 16 1 0 0 0 0 -8.048910 -2.595420 13.785500 1XA 0 0.09900 0.09900 DIHW C1 9
3 8 1 9 1 12 1 13 1 0 0 0 0 -7.601000 -4.094870 13.974500 1XA 0 0.30700 0.30700 DIHW C2 10
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3 10 1 18 1 20 1 21 1 0 0 0 0 -6.446680 -4.232080 14.966300 1XA 0 0.00000 0.00000 DIHW C4 12
3 10 1 19 1 22 1 23 1 0 0 0 0 -7.331580 -4.877270 12.687000 1XA 0 0.00000 0.00000 DIHW C5 13
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41 9 1 0 0 0 0 0 0 0 0 0 0 -7.788040 -1.964920 14.647900 1XA 0 0.00000 0.00000 DIHW H1 16
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25 [DIKGEJ,25,25,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
49 6 2 7 2 8 1 12 1 0 0 0 0 -7.714110 -3.959960 12.667700 1XA 0 1.38280 1.38280 UNCH S1 1
57 9 1 0 0 0 0 0 0 0 0 0 0 -11.744200 -6.023870 12.590200 1XA 0 -0.29000 -0.29000 UNCH CL1 2
57 9 1 0 0 0 0 0 0 0 0 0 0 -11.259200 -6.319440 15.439200 1XA 0 -0.29000 -0.29000 UNCH CL2 3
57 9 1 0 0 0 0 0 0 0 0 0 0 -12.396500 -3.833660 14.389800 1XA 0 -0.29000 -0.29000 UNCH CL3 4
16 10 1 11 1 0 0 0 0 0 0 0 0 -9.439760 -3.968900 15.095000 1XA 0 -0.43000 -0.43000 UNCH O1 5
15 1 2 0 0 0 0 0 0 0 0 0 0 -6.717830 -5.004640 12.783100 1XA 0 -0.65000 -0.65000 UNCH O2 6
15 1 2 0 0 0 0 0 0 0 0 0 0 -7.751320 -3.121150 11.486500 1XA 0 -0.65000 -0.65000 UNCH O3 7
25 1 1 10 2 0 0 0 0 0 0 0 0 -9.163420 -4.616200 12.850100 1XA 0 -0.63800 -0.63800 UNCH N1 8
3 2 1 3 1 4 1 10 1 0 0 0 0 -11.253800 -5.168610 14.073600 1XA 0 0.93100 0.93100 UNCH C1 9
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3 1 1 11 1 13 1 25 1 0 0 0 0 -7.544200 -2.870970 14.059800 1XA 0 0.10520 0.10520 UNCH C4 12
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41 14 1 0 0 0 0 0 0 0 0 0 0 -7.143120 -2.268470 16.827000 1XA 0 0.00000 0.00000 UNCH H62 21
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41 14 1 0 0 0 0 0 0 0 0 0 0 -8.669810 -3.011400 17.336399 1XA 0 0.00000 0.00000 UNCH H63 23
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3 2 1 6 1 14 1 16 1 0 0 0 0 -7.753300 -3.590990 13.769600 1XA 0 0.55000 0.55000 UNCH C1 1
3 1 1 3 1 18 1 19 1 0 0 0 0 -6.505380 -2.881820 13.222500 1XA 0 0.00000 0.00000 UNCH C2 2
3 2 1 4 1 20 1 21 1 0 0 0 0 -6.848710 -1.784410 12.216200 1XA 0 0.00000 0.00000 UNCH C3 3
3 3 1 5 1 22 1 23 1 0 0 0 0 -7.821180 -0.769961 12.803400 1XA 0 0.00000 0.00000 UNCH C4 4
3 4 1 6 1 24 1 25 1 0 0 0 0 -9.098100 -1.443890 13.292800 1XA 0 0.00000 0.00000 UNCH C5 5
3 1 1 5 1 13 1 26 1 0 0 0 0 -8.801530 -2.548280 14.320800 1XA 0 0.27000 0.27000 UNCH C6 6
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3 8 1 10 1 30 1 31 1 0 0 0 0 -11.016500 -6.520850 16.295401 1XA 0 0.00000 0.00000 UNCH C9 9
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26 6 1 7 1 36 1 0 0 0 0 0 0 -10.106200 -3.172970 14.691700 1XA 0 -0.90000 -0.90000 UNCH N1 13
26 1 1 12 1 17 1 0 0 0 0 0 0 -7.436750 -4.566500 14.845500 1XA 0 -0.64000 -0.64000 UNCH N2 14
26 12 1 16 1 37 1 0 0 0 0 0 0 -8.941440 -5.562440 13.355900 1XA 0 -0.73000 -0.73000 UNCH N3 15
16 1 1 15 1 0 0 0 0 0 0 0 0 -8.412420 -4.332110 12.719300 1XA 0 -0.18000 -0.18000 UNCH O1 16
16 14 1 38 1 0 0 0 0 0 0 0 0 -6.375680 -5.443130 14.341900 1XA 0 -0.30000 -0.30000 UNCH O2 17
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41 7 1 0 0 0 0 0 0 0 0 0 0 -9.535090 -4.158770 16.457001 1XA 0 0.00000 0.00000 UNCH H7 27
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15 12 2 0 0 0 0 0 0 0 0 0 0 -11.807100 -3.104680 14.329600 1XA 0 -0.57000 -0.57000 UNCH O2 4
3 1 1 2 1 6 1 11 1 0 0 0 0 -7.184260 -4.328690 15.764300 1XA 0 0.63300 0.63300 UNCH C1 5
2 3 2 5 1 7 1 0 0 0 0 0 0 -8.469020 -3.418900 15.787000 1XA 0 0.46400 0.46400 UNCH C2 6
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2 2 1 5 1 13 2 0 0 0 0 0 0 -10.544800 -5.330570 14.491500 1XA 0 -0.24000 -0.24000 UNCH C3 4
3 1 1 4 1 6 1 17 1 0 0 0 0 -9.752000 -4.462500 15.446600 1XA 0 0.62090 0.62090 UNCH C4 5
16 5 1 7 1 0 0 0 0 0 0 0 0 -8.607180 -3.845620 14.844200 1XA 0 -0.40790 -0.40790 UNCH O4 6
2 6 1 8 2 9 1 0 0 0 0 0 0 -7.860350 -3.089710 15.693800 1XA 0 0.65900 0.65900 UNCH C5 7
15 7 2 0 0 0 0 0 0 0 0 0 0 -8.139890 -2.901080 16.870800 1XA 0 -0.57000 -0.57000 UNCH O5 8
3 7 1 10 1 11 1 12 1 0 0 0 0 -6.639090 -2.508060 14.978400 1XA 0 0.06100 0.06100 UNCH C6 9
3 9 1 18 1 19 1 20 1 0 0 0 0 -5.825000 -1.655890 15.964600 1XA 0 0.00000 0.00000 UNCH C7 10
3 9 1 21 1 22 1 23 1 0 0 0 0 -7.102830 -1.621330 13.815100 1XA 0 0.00000 0.00000 UNCH C8 11
3 9 1 24 1 25 1 26 1 0 0 0 0 -5.758390 -3.652910 14.460700 1XA 0 0.00000 0.00000 UNCH C9 12
2 4 2 14 1 15 1 0 0 0 0 0 0 -11.139200 -5.198900 13.293000 1XA 0 -0.24540 -0.24540 UNCH C10 13
3 13 1 27 1 28 1 29 1 0 0 0 0 -11.889000 -6.318110 12.619800 1XA 0 0.13820 0.13820 UNCH C11 14
3 13 1 30 1 31 1 32 1 0 0 0 0 -11.107000 -3.915170 12.508000 1XA 0 0.13820 0.13820 UNCH C12 15
43 1 1 0 0 0 0 0 0 0 0 0 0 -9.496820 -5.823570 17.175100 1XA 0 0.37000 0.37000 UNCH H1 16
41 5 1 0 0 0 0 0 0 0 0 0 0 -10.358600 -3.747840 16.018999 1XA 0 0.00000 0.00000 UNCH H4 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.424490 -0.829948 16.364799 1XA 0 0.00000 0.00000 UNCH H71 18
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41 10 1 0 0 0 0 0 0 0 0 0 0 -5.482200 -2.253620 16.817200 1XA 0 0.00000 0.00000 UNCH H73 20
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41 11 1 0 0 0 0 0 0 0 0 0 0 -7.645210 -2.199030 13.058000 1XA 0 0.00000 0.00000 UNCH H82 22
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41 12 1 0 0 0 0 0 0 0 0 0 0 -5.466290 -4.324550 15.276200 1XA 0 0.00000 0.00000 UNCH H91 24
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.282560 -4.259420 13.713500 1XA 0 0.00000 0.00000 UNCH H92 25
41 12 1 0 0 0 0 0 0 0 0 0 0 -4.844280 -3.270090 13.993400 1XA 0 0.00000 0.00000 UNCH H93 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -11.879000 -7.242180 13.204600 1XA 0 0.00000 0.00000 UNCH H111 27
41 14 1 0 0 0 0 0 0 0 0 0 0 -12.934800 -6.032890 12.465200 1XA 0 0.00000 0.00000 UNCH H112 28
41 14 1 0 0 0 0 0 0 0 0 0 0 -11.442300 -6.538980 11.644800 1XA 0 0.00000 0.00000 UNCH H113 29
41 15 1 0 0 0 0 0 0 0 0 0 0 -10.578900 -3.117140 13.039000 1XA 0 0.00000 0.00000 UNCH H121 30
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26 [DIMYIH10,26,26,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
2 2 2 19 1 20 1 0 0 0 0 0 0 -8.043990 -4.822590 14.128500 1XA 0 -0.02200 -0.02200 UNCH C2 1
2 1 2 3 1 11 1 0 0 0 0 0 0 -6.891950 -4.075530 14.291400 1XA 0 0.07900 0.07900 UNCH C3 2
2 2 1 4 2 21 1 0 0 0 0 0 0 -6.002900 -4.635250 15.266100 1XA 0 -0.15000 -0.15000 UNCH C4 3
2 3 2 12 1 19 1 0 0 0 0 0 0 -6.543220 -5.763300 15.842700 1XA 0 0.12000 0.12000 UNCH C5 4
2 6 2 10 1 20 1 0 0 0 0 0 0 -10.592600 -3.609170 13.805400 1XA 0 -0.00900 -0.00900 UNCH C6 5
2 5 2 7 1 22 1 0 0 0 0 0 0 -11.410000 -4.128770 14.815200 1XA 0 -0.15000 -0.15000 UNCH C7 6
2 6 1 8 2 23 1 0 0 0 0 0 0 -12.345200 -3.300860 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 -1.968020 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 -1.460280 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 -2.281960 13.391600 1XA 0 -0.15000 -0.15000 UNCH C11 10
31 2 1 13 1 14 2 0 0 0 0 0 0 -6.624220 -2.872890 13.555900 1XA 0 0.96100 0.96100 UNCH N1 11
31 4 1 15 1 16 2 0 0 0 0 0 0 -5.940980 -6.573070 16.872400 1XA 0 0.96000 0.96000 UNCH N2 12
18 11 1 0 0 0 0 0 0 0 0 0 0 -7.523060 -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 -5.492210 -2.764440 13.075200 1XA 0 -0.52000 -0.52000 UNCH O2 14
18 12 1 0 0 0 0 0 0 0 0 0 0 -4.818770 -6.218320 17.254499 1XA 0 -0.52000 -0.52000 UNCH O3 15
15 12 2 0 0 0 0 0 0 0 0 0 0 -6.577070 -7.541850 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 -8.863780 -4.006790 11.852200 1XA 0 -0.65000 -0.65000 UNCH O6 18
49 1 1 4 1 0 0 0 0 0 0 0 0 -8.074640 -6.148790 15.220400 1XA 0 -0.08000 -0.08000 UNCH S1 19
49 1 1 5 1 17 2 18 2 0 0 0 0 -9.421340 -4.671690 13.011800 1XA 0 1.37100 1.37100 UNCH S2 20
41 3 1 0 0 0 0 0 0 0 0 0 0 -5.035420 -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 -5.172420 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 -3.694890 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 -1.324660 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 -0.423485 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 -1.875610 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 -12.677600 -4.744560 13.802900 1XA 0 -0.57000 -0.57000 UNCH O41 1
16 9 1 14 1 0 0 0 0 0 0 0 0 -8.995170 -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 -6.569030 -4.277760 14.072700 1XA 0 -0.56000 -0.56000 UNCH O11 3
16 15 1 28 1 0 0 0 0 0 0 0 0 -5.464720 -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 -8.458250 -3.495660 16.281500 1XA 0 -0.68000 -0.68000 UNCH O51 5
25 9 1 12 1 13 1 0 0 0 0 0 0 -8.799160 -4.173480 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 -3.271170 13.823500 1XA 0 -0.66100 -0.66100 UNCH N31 7
3 12 1 18 1 19 1 20 1 0 0 0 0 -8.361980 -6.550240 12.621700 1XA 0 0.13820 0.13820 UNCH C11 8
2 2 1 6 1 7 2 0 0 0 0 0 0 -9.650910 -3.180580 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 -4.514720 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 -5.650640 13.222200 1XA 0 -0.13560 -0.13560 UNCH C51 11
2 6 1 8 1 11 2 0 0 0 0 0 0 -9.288470 -5.446860 13.035300 1XA 0 -0.03820 -0.03820 UNCH C61 12
3 3 1 6 1 14 1 22 1 0 0 0 0 -7.456540 -3.681520 13.122200 1XA 0 0.64910 0.64910 UNCH C12 13
3 2 1 13 1 15 1 23 1 0 0 0 0 -7.618950 -2.201380 13.433700 1XA 0 0.28000 0.28000 UNCH C22 14
3 4 1 14 1 16 1 24 1 0 0 0 0 -6.657760 -1.949620 14.579600 1XA 0 0.28000 0.28000 UNCH C32 15
3 3 1 15 1 17 1 25 1 0 0 0 0 -6.307740 -3.332870 15.130400 1XA 0 0.28000 0.28000 UNCH C42 16
3 5 1 16 1 26 1 27 1 0 0 0 0 -7.066920 -3.731980 16.402000 1XA 0 0.28000 0.28000 UNCH C52 17
41 8 1 0 0 0 0 0 0 0 0 0 0 -7.612890 -6.735530 13.398000 1XA 0 0.00000 0.00000 UNCH H11 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.898550 -7.489600 12.449800 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 -6.607220 13.092800 1XA 0 0.15000 0.15000 UNCH H51 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -7.047470 -3.841920 12.118800 1XA 0 0.00000 0.00000 UNCH H12 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -7.411190 -1.576240 12.558300 1XA 0 0.00000 0.00000 UNCH H22 23
41 15 1 0 0 0 0 0 0 0 0 0 0 -7.054840 -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 -5.236540 -3.411540 15.350200 1XA 0 0.00000 0.00000 UNCH H42 25
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.700310 -3.149940 17.253401 1XA 0 0.00000 0.00000 UNCH H52 26
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.922420 -4.797640 16.607201 1XA 0 0.00000 0.00000 UNCH H520 27
42 4 1 0 0 0 0 0 0 0 0 0 0 -4.950710 -1.998390 13.563700 1XA 0 0.40000 0.40000 UNCH H322 28
42 5 1 0 0 0 0 0 0 0 0 0 0 -8.891010 -3.820720 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 -8.511750 -4.759520 15.360300 1XA 0 -0.86667 -0.86667 DIPD N7 1
25 11 1 6 1 5 2 0 0 0 0 0 0 -10.163300 -3.650730 16.110201 1XA 0 -0.86667 -0.86667 DIPD N8 2
25 13 1 12 1 5 1 0 0 0 0 0 0 -9.268410 -5.300690 17.535000 1XA 0 -0.83667 -0.83667 DIPD N9 3
32 19 1 18 1 17 1 9 1 0 0 0 0 -9.497830 -4.402890 11.211300 1XA 0 -0.85300 -0.85300 DIPD N10 4
2 1 1 2 2 3 1 0 0 0 0 0 0 -9.311750 -4.611520 16.405899 1XA 0 1.07000 1.07000 DIPD C13 5
2 2 1 14 1 7 2 0 0 0 0 0 0 -9.867710 -3.106070 14.883200 1XA 0 0.20000 0.20000 DIPD C14 6
2 1 1 6 2 8 1 0 0 0 0 0 0 -8.810230 -3.824930 14.370000 1XA 0 0.18200 0.18200 DIPD C15 7
3 7 1 16 1 15 1 9 1 0 0 0 0 -8.025190 -3.676030 13.116000 1XA 0 0.16800 0.16800 DIPD C16 8
3 4 1 8 1 21 1 20 1 0 0 0 0 -8.320450 -4.743210 12.059100 1XA 0 0.50300 0.50300 DIPD C17 9
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.733520 -5.411750 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 -3.317770 16.739100 1XA 0 0.45000 0.45000 DIPD H6 11
43 3 1 0 0 0 0 0 0 0 0 0 0 -9.918050 -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 -6.019210 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 -2.260910 14.549800 1XA 0 0.15000 0.15000 DIPD H9 14
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.968370 -3.749050 13.400900 1XA 0 0.00000 0.00000 DIPD H10 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.178150 -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 -5.110730 10.465900 1XA 0 0.45000 0.45000 DIPD H14 17
44 4 1 0 0 0 0 0 0 0 0 0 0 -9.389120 -3.505770 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 -4.386640 11.714800 1XA 0 0.45000 0.45000 DIPD H16 19
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.516220 -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 -7.479210 -4.821150 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 -8.473980 -3.840110 13.665800 1XA 0 1.33280 1.33280 UNCH S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -8.375610 -4.354190 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 -2.602980 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 -7.902550 -5.053710 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 -3.766490 14.112700 1XA 0 0.10520 0.10520 UNCH C1 6
43 5 1 0 0 0 0 0 0 0 0 0 0 -8.357690 -5.961690 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 -3.028820 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 -4.748140 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 -3.457370 15.155200 1XA 0 0.00000 0.00000 UNCH H4 10
42 4 1 0 0 0 0 0 0 0 0 0 0 -7.388320 -3.765970 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 -6.790260 -7.805310 13.202900 1XA 0 -0.57000 -0.57000 DISH O1 1
25 3 2 11 1 0 0 0 0 0 0 0 0 -8.814750 -2.841690 13.682100 1XA 0 -0.69600 -0.69600 DISH N1 2
2 2 2 4 1 8 1 0 0 0 0 0 0 -8.387870 -4.053460 13.616500 1XA 0 0.42120 0.42120 DISH C1 3
2 3 1 5 2 15 1 0 0 0 0 0 0 -7.201070 -4.310770 12.766800 1XA 0 -0.13560 -0.13560 DISH C2 4
2 4 2 6 1 16 1 0 0 0 0 0 0 -6.677770 -5.529790 12.629300 1XA 0 -0.13560 -0.13560 DISH C3 5
2 1 2 5 1 7 1 0 0 0 0 0 0 -7.264730 -6.683370 13.324100 1XA 0 0.54120 0.54120 DISH C4 6
2 6 1 8 2 17 1 0 0 0 0 0 0 -8.445120 -6.442140 14.172300 1XA 0 -0.13560 -0.13560 DISH C5 7
2 3 1 7 2 9 1 0 0 0 0 0 0 -8.990420 -5.226540 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 -4.951780 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 -3.686560 15.224100 1XA 0 -0.28820 -0.28820 DISH C8 10
3 2 1 10 1 13 1 14 1 0 0 0 0 -9.985630 -2.510990 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 -6.058150 15.911600 1XA 0 0.13820 0.13820 DISH C10 12
3 11 1 19 1 20 1 21 1 0 0 0 0 -9.529420 -1.468220 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 -1.890020 13.565800 1XA 0 0.00000 0.00000 DISH C12 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -6.776450 -3.451890 12.258900 1XA 0 0.15000 0.15000 DISH H2 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -5.810880 -5.721250 12.009400 1XA 0 0.15000 0.15000 DISH H3 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.831360 -7.330310 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 -3.460580 15.838800 1XA 0 0.15000 0.15000 DISH H8 18
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.761780 -1.879610 16.199600 1XA 0 0.00000 0.00000 DISH H111 19
41 13 1 0 0 0 0 0 0 0 0 0 0 -9.091990 -0.591844 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 -1.121050 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 -6.824720 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 -6.525170 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 -5.693020 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 -1.021180 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 -1.558660 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 -2.608070 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 -4.550770 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 -3.143650 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 -5.325330 15.872100 1XA 0 -0.52000 -0.52000 DISJ O2 3
18 8 1 0 0 0 0 0 0 0 0 0 0 -8.594470 -4.010420 15.955900 1XA 0 -0.85000 -0.85000 DISJ O3 4
16 8 1 9 1 0 0 0 0 0 0 0 0 -8.143030 -4.273570 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 -4.312920 14.380900 1XA 0 0.34440 0.34440 DISJ C1 7
2 4 1 5 1 7 2 0 0 0 0 0 0 -9.015380 -4.185120 14.770500 1XA 0 -0.07330 -0.07330 DISJ C2 8
3 5 1 10 1 11 1 14 1 0 0 0 0 -6.749560 -4.151390 13.945500 1XA 0 0.28000 0.28000 DISJ C3 9
3 9 1 12 1 13 1 15 1 0 0 0 0 -5.984280 -4.269280 12.639200 1XA 0 0.00000 0.00000 DISJ C4 10
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.538110 -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 -6.296040 -3.488050 11.938000 1XA 0 0.00000 0.00000 DISJ H4 12
41 10 1 0 0 0 0 0 0 0 0 0 0 -4.907420 -4.182570 12.808900 1XA 0 0.00000 0.00000 DISJ H5 13
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.429990 -4.955230 14.619100 1XA 0 0.00000 0.00000 DISJ H3F 14
41 10 1 0 0 0 0 0 0 0 0 0 0 -6.190260 -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 -9.317770 -3.278630 13.004900 1XA 0 -0.36100 -0.36100 DITR S1 1
2 1 1 4 1 3 2 0 0 0 0 0 0 -9.722330 -3.792590 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 -2.976340 15.286100 1XA 0 -0.75440 -0.75440 DITR N1 3
25 2 1 9 1 5 1 0 0 0 0 0 0 -9.311010 -4.948150 15.134700 1XA 0 -0.52740 -0.52740 DITR N2 4
26 4 1 11 1 10 1 0 0 0 0 0 0 -8.487630 -5.794710 14.397400 1XA 0 -0.49700 -0.49700 DITR N3 5
3 1 1 14 1 13 1 12 1 0 0 0 0 -7.702170 -2.529370 13.323700 1XA 0 0.23000 0.23000 DITR C2 6
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44 3 1 0 0 0 0 0 0 0 0 0 0 -10.800900 -2.125530 14.825600 1XA 0 0.45000 0.45000 DITR H2 8
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31 2 2 3 1 11 1 0 0 0 0 0 0 -8.934530 -4.209480 12.758700 1XA 0 -0.79390 -0.79390 DIVJ N4 6
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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 1.919940 3.516600 -0.395323 1XA 0 0.08250 0.08250 UNCH C1 1
2 1 1 3 2 12 1 0 0 0 0 0 0 2.606180 4.742330 -0.379736 1XA 0 0.08620 0.08620 UNCH C2 2
2 2 2 4 1 14 1 0 0 0 0 0 0 2.503090 5.633230 -1.457010 1XA 0 -0.15000 -0.15000 UNCH C3 3
2 3 1 5 2 15 1 0 0 0 0 0 0 1.714520 5.307720 -2.557780 1XA 0 -0.15000 -0.15000 UNCH C4 4
2 4 2 6 1 16 1 0 0 0 0 0 0 1.030490 4.095070 -2.582460 1XA 0 -0.15000 -0.15000 UNCH C5 5
2 1 2 5 1 17 1 0 0 0 0 0 0 1.131190 3.203270 -1.508630 1XA 0 -0.15000 -0.15000 UNCH C6 6
16 1 1 8 1 0 0 0 0 0 0 0 0 2.076170 2.706780 0.696965 1XA 0 -0.36250 -0.36250 UNCH O7 7
3 7 1 9 1 18 1 19 1 0 0 0 0 1.391100 1.458720 0.705818 1XA 0 0.34100 0.34100 UNCH C8 8
2 8 1 10 2 11 1 0 0 0 0 0 0 1.693480 0.717200 1.994170 1XA 0 0.65900 0.65900 UNCH C9 9
15 9 2 0 0 0 0 0 0 0 0 0 0 2.403530 1.077750 2.917900 1XA 0 -0.57000 -0.57000 UNCH O10 10
16 9 1 21 1 0 0 0 0 0 0 0 0 1.064330 -0.477565 2.050880 1XA 0 -0.65000 -0.65000 UNCH O11 11
2 2 1 13 2 20 1 0 0 0 0 0 0 3.453080 5.120070 0.774320 1XA 0 0.42380 0.42380 UNCH C21 12
15 12 2 0 0 0 0 0 0 0 0 0 0 4.060950 6.185220 0.808717 1XA 0 -0.57000 -0.57000 UNCH O21 13
41 3 1 0 0 0 0 0 0 0 0 0 0 3.037750 6.581200 -1.437840 1XA 0 0.15000 0.15000 UNCH H3 14
41 4 1 0 0 0 0 0 0 0 0 0 0 1.634910 5.999180 -3.393170 1XA 0 0.15000 0.15000 UNCH H4 15
41 5 1 0 0 0 0 0 0 0 0 0 0 0.414396 3.840600 -3.442330 1XA 0 0.15000 0.15000 UNCH H5 16
41 6 1 0 0 0 0 0 0 0 0 0 0 0.577386 2.272470 -1.579570 1XA 0 0.15000 0.15000 UNCH H6 17
41 8 1 0 0 0 0 0 0 0 0 0 0 0.308632 1.623650 0.666028 1XA 0 0.00000 0.00000 UNCH H81 18
41 8 1 0 0 0 0 0 0 0 0 0 0 1.738070 0.833405 -0.124299 1XA 0 0.00000 0.00000 UNCH H82 19
41 12 1 0 0 0 0 0 0 0 0 0 0 3.520370 4.405290 1.610730 1XA 0 0.06000 0.06000 UNCH H21 20
42 11 1 0 0 0 0 0 0 0 0 0 0 1.340470 -0.845319 2.918050 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 -7.844630 -7.163530 15.196800 1XA 0 -0.81967 -0.81967 DIYP N1 1
2 1 1 11 1 3 2 0 0 0 0 0 0 -7.654120 -7.946570 14.106300 1XA 0 1.20000 1.20000 DIYP C2 2
25 2 2 19 1 4 1 0 0 0 0 0 0 -7.796810 -7.408840 12.896900 1XA 0 -0.85967 -0.85967 DIYP N3 3
2 3 1 12 2 9 1 0 0 0 0 0 0 -8.128030 -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 -8.707660 -3.889820 13.801800 1XA 0 -0.75900 -0.75900 DIYP N5 5
3 5 1 22 1 13 1 7 1 0 0 0 0 -8.344790 -3.018150 15.032100 1XA 0 0.50300 0.50300 DIYP C6 6
3 6 1 24 1 23 1 8 1 0 0 0 0 -8.787310 -3.764270 16.330900 1XA 0 0.36910 0.36910 DIYP C7 7
25 7 1 25 1 10 1 0 0 0 0 0 0 -8.312450 -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 -8.180570 -5.840020 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 -9.233880 14.243900 1XA 0 -0.96667 -0.96667 DIYP N11 11
15 4 2 0 0 0 0 0 0 0 0 0 0 -8.240460 -5.574450 11.583200 1XA 0 -0.57000 -0.57000 DIYP O12 12
3 6 1 28 1 15 1 14 1 0 0 0 0 -9.086430 -1.675820 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 -2.012620 14.377300 1XA 0 -0.68000 -0.68000 DIYP O14 14
3 13 1 30 1 17 1 16 1 0 0 0 0 -9.072330 -0.759620 16.046600 1XA 0 0.28000 0.28000 DIYP C15 15
16 15 1 31 1 0 0 0 0 0 0 0 0 -7.755890 -0.784861 16.584999 1XA 0 -0.68000 -0.68000 DIYP O16 16
3 15 1 34 1 33 1 32 1 0 0 0 0 -9.463360 0.673092 15.703500 1XA 0 0.00000 0.00000 DIYP C17 17
43 1 1 0 0 0 0 0 0 0 0 0 0 -7.695380 -7.609640 16.098499 1XA 0 0.45000 0.45000 DIYP H1 18
43 3 1 0 0 0 0 0 0 0 0 0 0 -7.657410 -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 -9.734880 -3.777630 13.691300 1XA 0 0.45000 0.45000 DIYP H51 20
44 5 1 0 0 0 0 0 0 0 0 0 0 -8.317430 -3.468010 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 -2.891930 15.008100 1XA 0 0.00000 0.00000 DIYP H6 22
41 7 1 0 0 0 0 0 0 0 0 0 0 -9.880280 -3.772070 16.415701 1XA 0 0.00000 0.00000 DIYP H71 23
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.385070 -3.267570 17.218800 1XA 0 0.00000 0.00000 DIYP H72 24
43 8 1 0 0 0 0 0 0 0 0 0 0 -8.514780 -5.690710 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 -9.843380 13.444600 1XA 0 0.45000 0.45000 DIYP H111 26
43 11 1 0 0 0 0 0 0 0 0 0 0 -7.209070 -9.676160 15.150400 1XA 0 0.45000 0.45000 DIYP H112 27
41 13 1 0 0 0 0 0 0 0 0 0 0 -8.598790 -1.166450 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 -1.178110 14.253100 1XA 0 0.40000 0.40000 DIYP H14 29
41 15 1 0 0 0 0 0 0 0 0 0 0 -9.765460 -1.137230 16.806700 1XA 0 0.00000 0.00000 DIYP H15 30
42 16 1 0 0 0 0 0 0 0 0 0 0 -7.679710 -0.066181 17.247000 1XA 0 0.40000 0.40000 DIYP H16 31
41 17 1 0 0 0 0 0 0 0 0 0 0 -8.765550 1.106150 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 0.729914 15.295100 1XA 0 0.00000 0.00000 DIYP H172 33
41 17 1 0 0 0 0 0 0 0 0 0 0 -9.417610 1.305320 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 -8.883930 -2.746530 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 -3.976420 14.355000 1XA 0 0.69000 0.69000 UNCH C1 2
25 2 1 4 1 5 1 0 0 0 0 0 0 -9.893890 -4.775160 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 -4.368010 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 -4.367790 14.823500 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 -3.427560 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 -5.180120 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 -3.427180 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 -4.775110 13.797200 1XA 0 -0.35800 -0.35800 UNCH N1B 10
3 10 1 12 1 13 1 14 1 0 0 0 0 -7.218210 -4.367690 12.587500 1XA 0 -0.05100 -0.05100 UNCH C2B 11
3 10 1 11 1 15 1 16 1 0 0 0 0 -6.500890 -4.367910 13.886400 1XA 0 -0.05100 -0.05100 UNCH C3B 12
41 11 1 0 0 0 0 0 0 0 0 0 0 -7.058670 -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 -7.552370 -3.427080 12.169700 1XA 0 0.10000 0.10000 UNCH H22B 14
41 12 1 0 0 0 0 0 0 0 0 0 0 -5.828510 -5.180380 14.120800 1XA 0 0.10000 0.10000 UNCH H31B 15
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.325130 -3.427460 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 -6.994690 -5.189680 11.848400 1XA 0 -0.57000 -0.57000 CHGB O1 1
32 3 1 6 1 13 1 14 1 0 0 0 0 -9.227730 -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 -9.205210 -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 -4.350160 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 -3.168620 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 -2.176110 14.143000 1XA 0 0.50300 0.50300 CHGB C4 6
3 6 1 8 1 21 1 22 1 0 0 0 0 -9.569990 -2.331750 15.517500 1XA 0 0.00000 0.00000 CHGB C5 7
3 7 1 9 1 23 1 24 1 0 0 0 0 -9.190260 -3.746860 15.967700 1XA 0 0.13820 0.13820 CHGB C6 8
2 8 1 10 2 25 1 0 0 0 0 0 0 -8.203540 -4.499310 15.116200 1XA 0 -0.28820 -0.28820 CHGB C7 9
2 3 1 9 2 11 1 0 0 0 0 0 0 -8.204150 -4.595250 13.771400 1XA 0 -0.12380 -0.12380 CHGB C8 10
2 1 2 10 1 12 1 0 0 0 0 0 0 -7.147860 -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 -6.285620 -6.367750 13.804300 1XA 0 0.06100 0.06100 CHGB C10 12
44 2 1 0 0 0 0 0 0 0 0 0 0 -9.516170 -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 -8.286760 -2.085340 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 -4.070840 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 -5.262330 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 -4.564890 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 -3.473990 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 -2.710180 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 -1.141940 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 -1.930910 16.265100 1XA 0 0.00000 0.00000 CHGB H51 21
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.679360 -1.690970 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 -4.364330 16.103600 1XA 0 0.00000 0.00000 CHGB H61 23
41 8 1 0 0 0 0 0 0 0 0 0 0 -8.749030 -3.653880 16.969299 1XA 0 0.00000 0.00000 CHGB H62 24
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.444360 -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 -5.772270 -7.015710 13.087200 1XA 0 0.00000 0.00000 CHGB H101 26
41 12 1 0 0 0 0 0 0 0 0 0 0 -5.537290 -5.832530 14.393900 1XA 0 0.00000 0.00000 CHGB H102 27
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.900410 -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 -8.501290 -3.630180 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 -2.622480 16.655500 1XA 0 0.28000 0.28000 UNCH C2 2
15 1 2 0 0 0 0 0 0 0 0 0 0 -7.960970 -2.767780 13.983600 1XA 0 -0.57000 -0.57000 UNCH O1 3
16 1 1 2 1 0 0 0 0 0 0 0 0 -8.533970 -3.694740 16.005699 1XA 0 -0.43000 -0.43000 UNCH O2 4
41 2 1 0 0 0 0 0 0 0 0 0 0 -7.940110 -2.770230 17.735500 1XA 0 0.00000 0.00000 UNCH H1 5
41 2 1 0 0 0 0 0 0 0 0 0 0 -8.314610 -1.663520 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 -2.624940 16.390100 1XA 0 0.00000 0.00000 UNCH H3 7
2 1 1 9 2 10 1 0 0 0 0 0 0 -9.266710 -4.837220 14.055300 1XA 0 0.72000 0.72000 UNCH C1B 8
15 8 2 0 0 0 0 0 0 0 0 0 0 -9.807030 -5.699620 14.726400 1XA 0 -0.57000 -0.57000 UNCH O1B 9
16 8 1 11 1 0 0 0 0 0 0 0 0 -9.234030 -4.772660 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 -5.844920 12.054500 1XA 0 0.28000 0.28000 UNCH C2B 11
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.827890 -5.697170 10.974500 1XA 0 0.00000 0.00000 UNCH H1B 12
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.453390 -6.803880 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 -5.842460 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 -6.969220 -7.277910 16.076300 1XA 0 -0.75000 -0.75000 DOCC S1 1
51 3 1 0 0 0 0 0 0 0 0 0 0 -5.359360 -4.716060 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 -7.836230 -4.913020 15.033400 1XA 0 -0.17900 -0.17900 DOCC C2 4
2 4 2 9 1 7 1 0 0 0 0 0 0 -8.870040 -4.285410 15.749400 1XA 0 -0.15000 -0.15000 DOCC C3 5
2 4 1 10 2 8 1 0 0 0 0 0 0 -7.864890 -4.851810 13.629500 1XA 0 -0.15000 -0.15000 DOCC C4 6
41 5 1 0 0 0 0 0 0 0 0 0 0 -8.868290 -4.319940 16.835600 1XA 0 0.15000 0.15000 DOCC H1 7
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.075820 -5.329980 13.055300 1XA 0 0.15000 0.15000 DOCC H2 8
2 5 1 12 1 11 2 0 0 0 0 0 0 -9.903190 -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 -8.898040 -4.181990 12.960700 1XA 0 -0.15000 -0.15000 DOCC C3B 10
2 9 2 10 1 14 1 0 0 0 0 0 0 -9.931850 -3.554380 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 -3.137420 15.654800 1XA 0 0.15000 0.15000 DOCC H2B 12
41 10 1 0 0 0 0 0 0 0 0 0 0 -8.899790 -4.147460 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 -1.189490 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 -3.751350 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 -9.331120 -5.083920 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 -4.283470 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 -3.944960 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 -4.273890 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 -2.839840 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 -2.113090 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 -2.220020 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 -2.848780 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 -3.245740 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 -1.682510 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 -1.250450 15.832500 1XA 0 -0.55710 -0.55710 UNCH N7 11
25 1 1 13 2 0 0 0 0 0 0 0 0 -7.995670 -5.204310 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 -5.784720 13.561700 1XA 0 0.74400 0.74400 UNCH C1_ 13
57 13 1 0 0 0 0 0 0 0 0 0 0 -6.725580 -6.482250 11.983800 1XA 0 -0.20900 -0.20900 UNCH CL1_ 14
49 16 1 19 1 0 0 0 0 0 0 0 0 -5.765690 -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 -4.193080 -5.715550 16.344000 1XA 0 -0.50950 -0.50950 UNCH N2_ 16
2 16 2 18 1 20 1 0 0 0 0 0 0 -3.761060 -6.320810 15.235400 1XA 0 0.53500 0.53500 UNCH C3_ 17
25 17 1 19 2 0 0 0 0 0 0 0 0 -4.601190 -6.438850 14.132000 1XA 0 -0.56530 -0.56530 UNCH N4_ 18
2 13 1 15 1 18 2 0 0 0 0 0 0 -5.757430 -5.876350 14.437900 1XA 0 0.29310 0.29310 UNCH C5_ 19
1 17 1 21 3 0 0 0 0 0 0 0 0 -2.425050 -6.848730 15.189000 1XA 0 0.53810 0.53810 UNCH C6_ 20
24 20 3 0 0 0 0 0 0 0 0 0 0 -1.345580 -7.278740 15.142800 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 -9.380040 -2.989910 15.535600 1XA 0 -0.57000 -0.57000 DOCW O1 1
16 16 1 5 1 0 0 0 0 0 0 0 0 -5.487230 -2.262810 15.172800 1XA 0 -0.33700 -0.33700 DOCW O2 2
16 17 1 6 1 0 0 0 0 0 0 0 0 -8.116710 -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 -8.846420 -4.746290 14.100000 1XA 0 -0.22900 -0.22900 DOCW N1 4
25 2 1 14 2 0 0 0 0 0 0 0 0 -6.263180 -3.230890 14.523600 1XA 0 -0.51300 -0.51300 DOCW N2 5
25 3 1 13 2 0 0 0 0 0 0 0 0 -7.253810 -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 -1.921110 13.971000 1XA 0 0.13820 0.13820 DOCW C1 7
2 1 2 4 1 9 1 0 0 0 0 0 0 -9.559840 -3.603780 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 -3.162120 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 -5.066660 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 -5.444850 12.949800 1XA 0 -0.04100 -0.04100 DOCW C6 12
2 4 1 6 2 14 1 0 0 0 0 0 0 -7.716070 -5.129770 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 -6.773820 -3.895980 16.881300 1XA 0 0.06100 0.06100 DOCW C9 15
42 2 1 0 0 0 0 0 0 0 0 0 0 -5.114530 -1.756370 14.427400 1XA 0 0.40000 0.40000 DOCW H1 16
42 3 1 0 0 0 0 0 0 0 0 0 0 -7.644360 -8.151430 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 -1.671530 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 -1.068310 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 -3.605170 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 -5.617120 11.267100 1XA 0 0.15000 0.15000 DOCW H7 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.591460 -6.299010 12.674100 1XA 0 0.15000 0.15000 DOCW H8 23
41 15 1 0 0 0 0 0 0 0 0 0 0 -5.793980 -4.261880 17.199699 1XA 0 0.00000 0.00000 DOCW H9 24
41 15 1 0 0 0 0 0 0 0 0 0 0 -7.551180 -4.498470 17.359100 1XA 0 0.00000 0.00000 DOCW H10 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -6.896590 -2.858310 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 -8.785920 -4.194540 14.897300 1XA 0 -0.41400 -0.41400 UNCH N1 1
49 1 1 3 2 4 2 5 1 0 0 0 0 -7.696020 -4.571920 13.701300 1XA 0 1.33280 1.33280 UNCH S1 2
15 2 2 0 0 0 0 0 0 0 0 0 0 -6.817160 -3.435510 13.495900 1XA 0 -0.65000 -0.65000 UNCH O1 3
15 2 2 0 0 0 0 0 0 0 0 0 0 -7.126950 -5.874580 13.980100 1XA 0 -0.65000 -0.65000 UNCH O2 4
3 2 1 6 1 17 1 18 1 0 0 0 0 -8.627170 -4.695260 12.170300 1XA 0 0.10520 0.10520 UNCH C1 5
3 5 1 19 1 20 1 21 1 0 0 0 0 -9.598060 -3.553310 11.957800 1XA 0 0.00000 0.00000 UNCH C2 6
49 1 1 8 2 9 2 10 1 0 0 0 0 -8.198940 -3.299870 16.180201 1XA 0 1.33280 1.33280 UNCH S2 7
15 7 2 0 0 0 0 0 0 0 0 0 0 -9.165940 -3.270860 17.260000 1XA 0 -0.65000 -0.65000 UNCH O3 8
15 7 2 0 0 0 0 0 0 0 0 0 0 -6.855450 -3.742180 16.491699 1XA 0 -0.65000 -0.65000 UNCH O4 9
3 7 1 11 1 22 1 23 1 0 0 0 0 -8.116460 -1.619810 15.559100 1XA 0 0.10520 0.10520 UNCH C3 10
3 10 1 24 1 25 1 26 1 0 0 0 0 -9.458980 -1.102440 15.084400 1XA 0 0.00000 0.00000 UNCH C4 11
49 1 1 13 2 14 2 15 1 0 0 0 0 -9.984330 -5.298070 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 -6.138830 14.080100 1XA 0 -0.65000 -0.65000 UNCH O6 14
3 12 1 16 1 27 1 28 1 0 0 0 0 -9.291390 -6.345590 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 -7.480710 16.875401 1XA 0 0.00000 0.00000 UNCH C8 16
41 5 1 0 0 0 0 0 0 0 0 0 0 -9.119770 -5.665650 12.109500 1XA 0 0.00000 0.00000 UNCH H11 17
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.875680 -4.682820 11.371800 1XA 0 0.00000 0.00000 UNCH H12 18
41 6 1 0 0 0 0 0 0 0 0 0 0 -10.065200 -3.634650 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 -3.558110 12.704900 1XA 0 0.00000 0.00000 UNCH H22 20
41 6 1 0 0 0 0 0 0 0 0 0 0 -9.088790 -2.586140 12.012000 1XA 0 0.00000 0.00000 UNCH H23 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.363290 -1.548980 14.775700 1XA 0 0.00000 0.00000 UNCH H31 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.764640 -1.009170 16.398300 1XA 0 0.00000 0.00000 UNCH H32 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.846160 -1.694860 14.252500 1XA 0 0.00000 0.00000 UNCH H41 24
41 11 1 0 0 0 0 0 0 0 0 0 0 -9.366810 -0.065365 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 -1.131910 15.887800 1XA 0 0.00000 0.00000 UNCH H43 26
41 15 1 0 0 0 0 0 0 0 0 0 0 -9.110390 -5.745370 17.423901 1XA 0 0.00000 0.00000 UNCH H71 27
41 15 1 0 0 0 0 0 0 0 0 0 0 -8.344760 -6.749310 16.165300 1XA 0 0.00000 0.00000 UNCH H72 28
41 16 1 0 0 0 0 0 0 0 0 0 0 -11.202800 -7.096430 17.224300 1XA 0 0.00000 0.00000 UNCH H81 29
41 16 1 0 0 0 0 0 0 0 0 0 0 -9.812640 -8.105050 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 -8.116640 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 -8.325270 -3.739670 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 -3.333260 14.098700 1XA 0 1.33280 1.33280 UNCH S1 2
15 2 2 0 0 0 0 0 0 0 0 0 0 -7.624490 -2.427060 13.097400 1XA 0 -0.65000 -0.65000 UNCH O11 3
15 2 2 0 0 0 0 0 0 0 0 0 0 -6.020710 -2.915990 14.960700 1XA 0 -0.65000 -0.65000 UNCH O12 4
3 2 1 6 1 13 1 14 1 0 0 0 0 -6.616280 -4.862630 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 -9.829790 -4.175070 14.638800 1XA 0 1.33280 1.33280 UNCH S2 7
15 7 2 0 0 0 0 0 0 0 0 0 0 -9.728470 -5.016730 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 -4.667440 15.842700 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 -2.809720 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 -3.802850 16.095600 1XA 0 0.42000 0.42000 UNCH H1 12
41 5 1 0 0 0 0 0 0 0 0 0 0 -5.705190 -4.631490 12.741700 1XA 0 0.00000 0.00000 UNCH H111 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.386860 -5.141430 12.582200 1XA 0 0.00000 0.00000 UNCH H112 14
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.583090 -5.695190 15.016400 1XA 0 0.00000 0.00000 UNCH H121 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -5.993740 -6.873280 13.758000 1XA 0 0.00000 0.00000 UNCH H122 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.250660 -6.257680 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 -2.225960 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 -1.933170 15.036300 1XA 0 0.00000 0.00000 UNCH H212 19
41 11 1 0 0 0 0 0 0 0 0 0 0 -12.541100 -1.855610 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 -3.515650 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 -4.476380 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 -5.119680 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 -3.616020 13.241500 1XA 0 -0.65000 -0.65000 UNCH O2 3
3 1 1 5 1 12 1 13 1 0 0 0 0 -9.680910 -5.699610 13.993300 1XA 0 0.10520 0.10520 UNCH C1 4
3 4 1 6 1 10 1 14 1 0 0 0 0 -8.334820 -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 -7.835310 -4.096930 13.118900 1XA 0 0.13800 0.13800 UNCH C3 6
2 6 1 8 2 16 1 0 0 0 0 0 0 -6.348820 -3.822220 13.150900 1XA 0 -0.28800 -0.28800 UNCH C4 7
2 7 2 9 1 17 1 0 0 0 0 0 0 -6.478470 -2.757790 13.966700 1XA 0 -0.28800 -0.28800 UNCH C5 8
3 6 1 8 1 10 1 18 1 0 0 0 0 -7.982930 -2.884980 14.047800 1XA 0 0.13800 0.13800 UNCH C6 9
3 5 1 9 1 11 1 19 1 0 0 0 0 -8.484910 -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 -9.936140 -3.604220 15.599200 1XA 0 0.10520 0.10520 UNCH C8 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.814440 -6.037330 12.963300 1XA 0 0.00000 0.00000 UNCH H11 12
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.826990 -6.539510 14.679200 1XA 0 0.00000 0.00000 UNCH H12 13
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.583510 -5.764740 14.566900 1XA 0 0.00000 0.00000 UNCH H2 14
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.366540 -4.063310 12.165900 1XA 0 0.00000 0.00000 UNCH H3 15
41 7 1 0 0 0 0 0 0 0 0 0 0 -5.500590 -4.307630 12.676400 1XA 0 0.15000 0.15000 UNCH H4 16
41 8 1 0 0 0 0 0 0 0 0 0 0 -5.775040 -2.054360 14.403400 1XA 0 0.15000 0.15000 UNCH H5 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.610260 -2.062390 13.699500 1XA 0 0.00000 0.00000 UNCH H6 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -7.820640 -3.817930 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 -4.074190 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 -2.555370 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 -6.082440 -2.290890 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 -6.273070 13.414600 1XA 0 1.56800 1.56800 CHGB S2 2
49 1 1 16 1 0 0 0 0 0 0 0 0 -6.239670 -3.037500 15.820500 1XA 0 -0.34800 -0.34800 CHGB S3 3
49 2 1 15 1 0 0 0 0 0 0 0 0 -10.998100 -5.350920 15.239400 1XA 0 -0.34800 -0.34800 CHGB S4 4
32 12 1 13 1 14 1 28 1 0 0 0 0 -7.111110 -5.529920 14.028900 1XA 0 -0.95900 -0.95900 CHGB N1 5
15 1 2 0 0 0 0 0 0 0 0 0 0 -5.752720 -3.536220 13.178000 1XA 0 -0.81667 -0.81667 CHGB O1 6
15 1 2 0 0 0 0 0 0 0 0 0 0 -7.425970 -1.796390 13.630600 1XA 0 -0.81667 -0.81667 CHGB O2 7
18 1 1 0 0 0 0 0 0 0 0 0 0 -5.015030 -1.313560 13.974700 1XA 0 -0.81667 -0.81667 CHGB O3 8
15 2 2 0 0 0 0 0 0 0 0 0 0 -10.467700 -5.780960 12.532500 1XA 0 -0.81667 -0.81667 CHGB O4 9
15 2 2 0 0 0 0 0 0 0 0 0 0 -11.403600 -7.685660 13.755900 1XA 0 -0.81667 -0.81667 CHGB O5 10
18 2 1 0 0 0 0 0 0 0 0 0 0 -12.861700 -5.775540 13.163800 1XA 0 -0.81667 -0.81667 CHGB O6 11
3 5 1 17 1 18 1 19 1 0 0 0 0 -7.476050 -6.090410 12.675300 1XA 0 0.50300 0.50300 CHGB C1 12
3 5 1 20 1 21 1 22 1 0 0 0 0 -6.327230 -6.477780 14.855900 1XA 0 0.50300 0.50300 CHGB C2 13
3 5 1 15 1 16 1 23 1 0 0 0 0 -8.301120 -4.819020 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 -5.871110 15.297200 1XA 0 0.23000 0.23000 CHGB C4 15
3 3 1 14 1 26 1 27 1 0 0 0 0 -7.892920 -3.796110 15.798600 1XA 0 0.23000 0.23000 CHGB C5 16
41 12 1 0 0 0 0 0 0 0 0 0 0 -6.549170 -6.412590 12.191400 1XA 0 0.00000 0.00000 CHGB H1 17
41 12 1 0 0 0 0 0 0 0 0 0 0 -8.140780 -6.945440 12.809600 1XA 0 0.00000 0.00000 CHGB H2 18
41 12 1 0 0 0 0 0 0 0 0 0 0 -7.933380 -5.297090 12.079500 1XA 0 0.00000 0.00000 CHGB H3 19
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.905010 -7.395110 14.994500 1XA 0 0.00000 0.00000 CHGB H4 20
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.393860 -6.696570 14.329700 1XA 0 0.00000 0.00000 CHGB H5 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -6.106170 -6.020940 15.821900 1XA 0 0.00000 0.00000 CHGB H6 22
41 14 1 0 0 0 0 0 0 0 0 0 0 -8.775430 -4.255610 13.878800 1XA 0 0.00000 0.00000 CHGB H7 23
41 15 1 0 0 0 0 0 0 0 0 0 0 -9.015360 -6.074440 16.344200 1XA 0 0.00000 0.00000 CHGB H8 24
41 15 1 0 0 0 0 0 0 0 0 0 0 -9.179480 -6.837590 14.794800 1XA 0 0.00000 0.00000 CHGB H9 25
41 16 1 0 0 0 0 0 0 0 0 0 0 -8.633090 -2.987160 15.811200 1XA 0 0.00000 0.00000 CHGB H10 26
41 16 1 0 0 0 0 0 0 0 0 0 0 -7.972610 -4.271310 16.782600 1XA 0 0.00000 0.00000 CHGB H11 27
44 5 1 0 0 0 0 0 0 0 0 0 0 -6.456910 -4.761180 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 -8.537980 -3.572220 14.692600 1XA 0 -0.68130 -0.68130 DOPD N1 1
49 1 1 3 1 14 2 15 2 0 0 0 0 -9.486310 -4.036070 15.991000 1XA 0 1.33900 1.33900 DOPD S2 2
3 2 1 4 1 5 1 6 1 0 0 0 0 -8.231190 -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 -8.608590 -6.301170 16.173300 1XA 0 0.00000 0.00000 DOPD H31 4
41 3 1 0 0 0 0 0 0 0 0 0 0 -7.404330 -5.063690 16.663601 1XA 0 0.00000 0.00000 DOPD H32 5
3 1 1 3 1 7 1 8 1 0 0 0 0 -7.983930 -4.938910 14.507100 1XA 0 0.30700 0.30700 DOPD C4 6
41 6 1 0 0 0 0 0 0 0 0 0 0 -8.562290 -5.544110 13.798500 1XA 0 0.00000 0.00000 DOPD H41 7
41 6 1 0 0 0 0 0 0 0 0 0 0 -6.932450 -4.945520 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 -2.848880 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 -2.250120 13.586700 1XA 0 -0.57000 -0.57000 DOPD O6 10
25 9 1 12 1 13 1 0 0 0 0 0 0 -8.163720 -2.786050 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 -2.933880 12.734100 1XA 0 0.37000 0.37000 DOPD H71 12
43 11 1 0 0 0 0 0 0 0 0 0 0 -8.411380 -2.095760 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 -4.594150 15.569000 1XA 0 -0.65000 -0.65000 DOPD O8 14
15 2 2 0 0 0 0 0 0 0 0 0 0 -9.309780 -3.134010 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 -9.440380 -6.964570 12.422600 1XA 0 -0.38000 -0.38000 UNCH S1 1
25 3 1 4 1 12 1 0 0 0 0 0 0 -8.886540 -4.235660 12.631100 1XA 0 -0.23700 -0.23700 UNCH N1 2
2 1 2 2 1 8 1 0 0 0 0 0 0 -9.018530 -5.427610 11.906600 1XA 0 0.38000 0.38000 UNCH C1 3
2 2 1 5 2 13 1 0 0 0 0 0 0 -8.885410 -4.234860 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 -5.047160 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 -5.045420 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 -4.233270 16.875500 1XA 0 -0.15000 -0.15000 UNCH C5 7
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.841330 -5.270450 10.828200 1XA 0 0.06000 0.06000 UNCH H1 8
41 5 1 0 0 0 0 0 0 0 0 0 0 -7.271040 -5.673340 14.262400 1XA 0 0.15000 0.15000 UNCH H3 9
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.293390 -5.676920 16.720400 1XA 0 0.15000 0.15000 UNCH H4 10
41 7 1 0 0 0 0 0 0 0 0 0 0 -8.882350 -4.232660 17.962601 1XA 0 0.15000 0.15000 UNCH H5 11
2 2 1 15 2 16 1 0 0 0 0 0 0 -8.755680 -3.044540 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 -3.421750 14.781000 1XA 0 -0.15000 -0.15000 UNCH C3C 13
2 7 1 13 2 18 1 0 0 0 0 0 0 -9.775110 -3.421910 16.178301 1XA 0 -0.15000 -0.15000 UNCH C4C 14
49 12 2 0 0 0 0 0 0 0 0 0 0 -8.333020 -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 -8.934580 -3.202910 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 -2.796150 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 -9.576010 -5.811680 14.371500 1XA 0 1.62600 1.62600 DOTV S1 1
201 1 1 13 1 3 1 0 0 0 0 0 0 -8.202320 -5.438560 13.540800 1XA 0 -0.79430 -0.79430 DOTV N2 2
2 2 1 9 2 4 1 0 0 0 0 0 0 -7.973470 -4.147530 13.084000 1XA 0 0.74530 0.74530 DOTV C3 3
3 3 1 15 1 12 1 5 1 0 0 0 0 -8.980890 -3.107710 13.482600 1XA 0 0.12200 0.12200 DOTV C4 4
2 4 1 10 1 6 2 0 0 0 0 0 0 -9.593570 -3.351210 14.845300 1XA 0 0.43900 0.43900 DOTV C5 5
25 1 1 5 2 0 0 0 0 0 0 0 0 -9.884470 -4.528310 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 -5.924810 13.375800 1XA 0 -0.65000 -0.65000 DOTV O11 7
15 1 2 0 0 0 0 0 0 0 0 0 0 -9.230120 -6.937780 15.207800 1XA 0 -0.65000 -0.65000 DOTV O12 8
15 3 2 0 0 0 0 0 0 0 0 0 0 -7.021590 -3.908290 12.354300 1XA 0 -0.57000 -0.57000 DOTV O7 9
25 5 1 14 1 11 1 0 0 0 0 0 0 -9.884490 -2.259330 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 -2.469940 16.590900 1XA 0 0.40000 0.40000 DOTV H1 11
41 4 1 0 0 0 0 0 0 0 0 0 0 -8.490710 -2.128370 13.472200 1XA 0 0.00000 0.00000 DOTV H3 12
45 2 1 0 0 0 0 0 0 0 0 0 0 -7.632910 -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 -9.372190 -1.394320 15.490300 1XA 0 0.40000 0.40000 DOTV H5 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -9.784910 -3.097690 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 1.454370 1.558310 9.180390 1XA 0 -0.22730 -0.22730 UNCH CL1 1
57 4 1 0 0 0 0 0 0 0 0 0 0 1.626230 2.757120 11.846700 1XA 0 -0.22730 -0.22730 UNCH CL2 2
3 4 1 5 1 6 1 7 1 0 0 0 0 0.446109 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 1.330590 3.045920 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 9.535460 1XA 0 -0.20000 -0.20000 UNCH C3 5
2 3 1 15 2 16 1 0 0 0 0 0 0 -0.169266 5.051230 10.730300 1XA 0 0.72000 0.72000 UNCH C4 6
2 3 1 8 2 12 1 0 0 0 0 0 0 -0.365289 4.115570 8.376250 1XA 0 -0.03200 -0.03200 UNCH C1_ 7
2 7 2 9 1 21 1 0 0 0 0 0 0 -1.406040 3.182110 8.223640 1XA 0 -0.15000 -0.15000 UNCH C2_ 8
2 8 1 10 2 22 1 0 0 0 0 0 0 -2.164380 3.105910 7.047910 1XA 0 -0.15000 -0.15000 UNCH C3_ 9
2 9 2 11 1 17 1 0 0 0 0 0 0 -1.906870 3.975980 5.992580 1XA 0 0.08250 0.08250 UNCH C4_ 10
2 10 1 12 2 23 1 0 0 0 0 0 0 -0.892595 4.922410 6.129950 1XA 0 -0.15000 -0.15000 UNCH C5_ 11
2 7 1 11 2 24 1 0 0 0 0 0 0 -0.136935 4.994610 7.304500 1XA 0 -0.15000 -0.15000 UNCH C6_ 12
3 14 1 17 1 25 1 26 1 0 0 0 0 -3.596470 3.046680 4.593010 1XA 0 0.28000 0.28000 UNCH C7_ 13
3 13 1 27 1 28 1 29 1 0 0 0 0 -4.168870 3.258310 3.202880 1XA 0 0.00000 0.00000 UNCH C8_ 14
15 6 2 0 0 0 0 0 0 0 0 0 0 0.207820 6.176850 11.013200 1XA 0 -0.57000 -0.57000 UNCH O1 15
16 6 1 18 1 0 0 0 0 0 0 0 0 -1.212250 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 -2.565960 4.012000 4.795980 1XA 0 -0.36250 -0.36250 UNCH O4_ 17
42 16 1 0 0 0 0 0 0 0 0 0 0 -1.508390 5.142940 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 4.178030 8.551520 1XA 0 0.10000 0.10000 UNCH H31 19
41 5 1 0 0 0 0 0 0 0 0 0 0 2.513890 4.937080 10.189900 1XA 0 0.10000 0.10000 UNCH H32 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -1.637320 2.495720 9.037560 1XA 0 0.15000 0.15000 UNCH H2_ 21
41 9 1 0 0 0 0 0 0 0 0 0 0 -2.947800 2.357310 6.996080 1XA 0 0.15000 0.15000 UNCH H3_ 22
41 11 1 0 0 0 0 0 0 0 0 0 0 -0.688898 5.614250 5.315930 1XA 0 0.15000 0.15000 UNCH H5_ 23
41 12 1 0 0 0 0 0 0 0 0 0 0 0.637409 5.755980 7.379310 1XA 0 0.15000 0.15000 UNCH H6_ 24
41 13 1 0 0 0 0 0 0 0 0 0 0 -3.187010 2.032110 4.660580 1XA 0 0.00000 0.00000 UNCH H71 25
41 13 1 0 0 0 0 0 0 0 0 0 0 -4.394250 3.181410 5.332490 1XA 0 0.00000 0.00000 UNCH H72 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -4.967220 2.540000 2.996410 1XA 0 0.00000 0.00000 UNCH H81 27
41 14 1 0 0 0 0 0 0 0 0 0 0 -3.387860 3.147170 2.443360 1XA 0 0.00000 0.00000 UNCH H82 28
41 14 1 0 0 0 0 0 0 0 0 0 0 -4.570210 4.272120 3.101410 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 -3.954520 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 -2.946260 12.985100 1XA 0 0.65000 0.65000 UNCH C1 2
25 2 2 4 1 0 0 0 0 0 0 0 0 -8.953730 -2.948070 14.133100 1XA 0 -0.62100 -0.62100 UNCH N1 3
2 3 1 5 2 8 1 0 0 0 0 0 0 -9.047380 -4.078220 14.903200 1XA 0 0.27200 0.27200 UNCH C2 4
2 4 2 6 1 10 1 0 0 0 0 0 0 -9.730120 -5.161970 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 -5.090010 13.187600 1XA 0 0.70560 0.70560 UNCH C4 6
25 2 1 13 1 14 1 0 0 0 0 0 0 -9.493690 -1.881490 12.150900 1XA 0 -0.85000 -0.85000 UNCH N2 7
49 4 1 9 1 0 0 0 0 0 0 0 0 -8.251510 -4.105310 16.484301 1XA 0 -0.33100 -0.33100 UNCH S1 8
3 8 1 15 1 16 1 17 1 0 0 0 0 -7.305180 -2.566480 16.443300 1XA 0 0.23000 0.23000 UNCH C5 9
1 5 1 11 3 0 0 0 0 0 0 0 0 -9.871710 -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 -9.983560 -7.343620 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 -6.029640 12.743900 1XA 0 -0.57000 -0.57000 UNCH O2 12
43 7 1 0 0 0 0 0 0 0 0 0 0 -9.242880 -1.007490 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 -1.814320 11.482400 1XA 0 0.40000 0.40000 UNCH H2 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -6.730040 -2.477680 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 -2.563340 15.603600 1XA 0 0.00000 0.00000 UNCH H4 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -7.970980 -1.702010 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 -8.362980 -1.679950 13.814300 1XA 0 0.90600 0.90600 DOXX C1 1
3 1 1 11 1 4 1 3 1 0 0 0 0 -8.382060 -3.167180 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 -3.821530 13.197200 1XA 0 0.09900 0.09900 DOXX C3 3
32 2 1 16 1 15 1 14 1 0 0 0 0 -8.966720 -3.297450 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 -5.260370 13.493600 1XA 0 0.74100 0.74100 DOXX N2 5
25 5 2 10 1 0 0 0 0 0 0 0 0 -8.851180 -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 -9.039680 -0.988613 14.639900 1XA 0 -0.90000 -0.90000 DOXX O1 7
18 1 1 0 0 0 0 0 0 0 0 0 0 -7.717340 -1.389090 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 -5.617930 14.650900 1XA 0 -0.63300 -0.63300 DOXX O3 9
16 6 1 17 1 0 0 0 0 0 0 0 0 -8.894030 -7.355030 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 -3.603110 14.263600 1XA 0 0.00000 0.00000 DOXX H1 11
41 3 1 0 0 0 0 0 0 0 0 0 0 -8.930590 -3.670120 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 -3.470090 13.259000 1XA 0 0.00000 0.00000 DOXX H3 13
44 4 1 0 0 0 0 0 0 0 0 0 0 -9.566810 -2.446230 15.707700 1XA 0 0.45000 0.45000 DOXX H4 14
44 4 1 0 0 0 0 0 0 0 0 0 0 -9.505940 -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 -3.178970 16.343399 1XA 0 0.45000 0.45000 DOXX H6 16
42 10 1 0 0 0 0 0 0 0 0 0 0 -8.583650 -7.844070 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 -2.570460 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 -3.682150 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 -4.152120 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 -5.342920 15.123900 1XA 0 0.16100 0.16100 DOXZ C2 4
2 4 1 10 1 6 2 0 0 0 0 0 0 -8.871360 -4.897660 15.030900 1XA 0 -0.10800 -0.10800 DOXZ C21 5
2 5 2 14 1 7 1 0 0 0 0 0 0 -7.581260 -5.137290 15.432600 1XA 0 -0.15000 -0.15000 DOXZ C3 6
2 6 1 15 1 8 2 0 0 0 0 0 0 -6.591180 -4.272410 14.944000 1XA 0 -0.15000 -0.15000 DOXZ C4 7
2 7 2 16 1 9 1 0 0 0 0 0 0 -6.913320 -3.202010 14.075700 1XA 0 -0.15000 -0.15000 DOXZ C5 8
2 8 1 17 1 10 2 0 0 0 0 0 0 -8.232290 -2.975140 13.678800 1XA 0 -0.15000 -0.15000 DOXZ C6 9
2 3 1 5 1 9 2 0 0 0 0 0 0 -9.156190 -3.848160 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 -2.314510 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 -5.240780 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 -6.314240 14.685500 1XA 0 0.00000 0.00000 DOXZ H2_ 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -7.334340 -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 -5.553910 -4.425110 15.236600 1XA 0 0.15000 0.15000 DOXZ H4 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -6.121130 -2.549510 13.714800 1XA 0 0.15000 0.15000 DOXZ H5 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -8.510480 -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 1.777170 -3.115920 3.363710 1XA 0 -0.34000 -0.34000 DOZF F1 1
56 10 1 0 0 0 0 0 0 0 0 0 0 1.891090 -3.977520 1.335480 1XA 0 -0.34000 -0.34000 DOZF F2 2
15 9 2 0 0 0 0 0 0 0 0 0 0 0.403767 -1.662960 0.445412 1XA 0 -0.57000 -0.57000 DOZF O1 3
18 8 1 0 0 0 0 0 0 0 0 0 0 4.072710 -2.673700 1.165780 1XA 0 -0.52000 -0.52000 DOZF O2 4
15 8 2 0 0 0 0 0 0 0 0 0 0 3.348050 -1.066960 2.486310 1XA 0 -0.52000 -0.52000 DOZF O3 5
25 20 1 9 1 7 1 0 0 0 0 0 0 0.430806 -0.901515 2.592120 1XA 0 -0.18300 -0.18300 DOZF N1 6
32 6 1 13 1 12 1 11 1 0 0 0 0 -0.339897 0.222721 2.108810 1XA 0 -0.70300 -0.70300 DOZF N2 7
31 4 1 5 2 10 1 0 0 0 0 0 0 3.211570 -2.149310 1.881480 1XA 0 0.79980 0.79980 DOZF N3 8
2 3 2 6 1 10 1 0 0 0 0 0 0 0.850508 -1.791220 1.587570 1XA 0 0.56900 0.56900 DOZF C1 9
3 1 1 2 1 8 1 9 1 0 0 0 0 1.869290 -2.820200 2.036840 1XA 0 0.98120 0.98120 DOZF C2 10
3 7 1 16 1 15 1 14 1 0 0 0 0 -1.603530 0.282354 2.907790 1XA 0 0.50300 0.50300 DOZF C3 11
3 7 1 19 1 18 1 17 1 0 0 0 0 0.518032 1.450850 2.174010 1XA 0 0.50300 0.50300 DOZF C4 12
44 7 1 0 0 0 0 0 0 0 0 0 0 -0.579332 0.031709 1.109570 1XA 0 0.45000 0.45000 DOZF H2 13
41 11 1 0 0 0 0 0 0 0 0 0 0 -2.201050 1.112200 2.521730 1XA 0 0.00000 0.00000 DOZF H31 14
41 11 1 0 0 0 0 0 0 0 0 0 0 -2.141380 -0.659985 2.770460 1XA 0 0.00000 0.00000 DOZF H32 15
41 11 1 0 0 0 0 0 0 0 0 0 0 -1.351620 0.444376 3.959830 1XA 0 0.00000 0.00000 DOZF H33 16
41 12 1 0 0 0 0 0 0 0 0 0 0 0.797861 1.633570 3.215420 1XA 0 0.00000 0.00000 DOZF H41 17
41 12 1 0 0 0 0 0 0 0 0 0 0 1.400640 1.286500 1.549710 1XA 0 0.00000 0.00000 DOZF H42 18
41 12 1 0 0 0 0 0 0 0 0 0 0 -0.068216 2.284620 1.779390 1XA 0 0.00000 0.00000 DOZF H43 19
43 6 1 0 0 0 0 0 0 0 0 0 0 0.980173 -0.782731 3.451690 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 -9.253740 -3.730890 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 -5.347520 17.669001 1XA 0 -0.52000 -0.52000 DOZN O2 2
18 11 1 0 0 0 0 0 0 0 0 0 0 -7.020680 -3.790810 11.088100 1XA 0 -0.52000 -0.52000 DOZN O3 3
15 11 2 0 0 0 0 0 0 0 0 0 0 -8.182210 -5.634580 11.434800 1XA 0 -0.52000 -0.52000 DOZN O4 4
31 1 1 2 2 6 1 0 0 0 0 0 0 -9.638090 -4.615720 17.514000 1XA 0 1.04400 1.04400 DOZN N1 5
25 5 1 15 1 12 1 0 0 0 0 0 0 -8.804130 -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 -9.196050 -2.858690 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 -2.545860 14.054900 1XA 0 -0.65000 -0.65000 DOZN N4 8
201 13 1 12 1 0 0 0 0 0 0 0 0 -8.810530 -4.677550 14.222600 1XA 0 -0.96667 -0.96667 DOZN N5 9
25 14 1 13 1 11 1 0 0 0 0 0 0 -8.984390 -3.651940 11.988700 1XA 0 -0.50000 -0.50000 DOZN N6 10
31 3 1 4 2 10 1 0 0 0 0 0 0 -7.982440 -4.419670 11.546200 1XA 0 1.04400 1.04400 DOZN N7 11
2 6 1 7 2 9 1 0 0 0 0 0 0 -8.944890 -4.178580 15.459800 1XA 0 0.72933 0.72933 DOZN C1 12
2 8 2 9 1 10 1 0 0 0 0 0 0 -8.996670 -3.668740 13.363700 1XA 0 0.72933 0.72933 DOZN C2 13
43 10 1 0 0 0 0 0 0 0 0 0 0 -8.939100 -2.689770 11.698400 1XA 0 0.40000 0.40000 DOZN H1 14
43 6 1 0 0 0 0 0 0 0 0 0 0 -8.928580 -5.954270 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 -8.065470 -5.060690 12.131800 1XA 0 -0.57000 -0.57000 UNCH O1 1
15 12 2 0 0 0 0 0 0 0 0 0 0 -7.845250 -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 -9.749380 -4.024790 13.376900 1XA 0 -0.36010 -0.36010 UNCH N1 3
25 11 1 12 1 13 1 0 0 0 0 0 0 -7.693240 -3.140770 13.409000 1XA 0 -0.42010 -0.42010 UNCH N2 4
25 3 1 9 1 12 1 0 0 0 0 0 0 -9.679140 -3.059290 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 -5.136780 13.911700 1XA 0 0.43830 0.43830 UNCH C1 6
2 6 1 8 2 15 1 0 0 0 0 0 0 -9.768070 -5.778320 15.035100 1XA 0 -0.28820 -0.28820 UNCH C2 7
2 7 2 9 1 16 1 0 0 0 0 0 0 -9.702310 -4.874470 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 -3.644670 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 -4.348940 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 -4.152640 12.848700 1XA 0 0.69000 0.69000 UNCH C6 11
2 2 2 4 1 5 1 0 0 0 0 0 0 -8.349260 -2.631790 14.520900 1XA 0 0.69000 0.69000 UNCH C7 12
3 4 1 20 1 21 1 22 1 0 0 0 0 -6.264850 -3.078190 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 -5.804160 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 -6.750730 15.001200 1XA 0 0.15000 0.15000 UNCH H2 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -9.172020 -4.965490 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 -2.924970 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 -3.652250 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 -4.976170 15.378200 1XA 0 0.00000 0.00000 UNCH H52 19
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.808890 -3.829040 13.910300 1XA 0 0.00000 0.00000 UNCH H81 20
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.991180 -3.293520 12.221200 1XA 0 0.00000 0.00000 UNCH H82 21
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.903450 -2.087680 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 -1.795120 0.504309 9.412630 1XA 0 -0.48700 -0.48700 DUDM N1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -1.961810 0.627911 8.062130 1XA 0 -0.50300 -0.50300 DUDM N2 2
2 2 2 8 1 4 1 0 0 0 0 0 0 -2.676410 1.645490 7.678740 1XA 0 0.60000 0.60000 DUDM C3 3
25 3 1 5 2 0 0 0 0 0 0 0 0 -3.244140 2.603980 8.490880 1XA 0 -0.21100 -0.21100 DUDM N4 4
25 4 2 6 1 0 0 0 0 0 0 0 0 -2.880570 2.680690 9.687460 1XA 0 -0.24600 -0.24600 DUDM N5 5
3 1 1 5 1 20 1 9 1 0 0 0 0 -1.842260 1.751480 10.191800 1XA 0 0.51600 0.51600 DUDM C6 6
3 1 1 12 1 11 1 10 1 0 0 0 0 -0.700313 -0.373100 9.811040 1XA 0 0.55000 0.55000 DUDM C7 7
3 3 1 15 1 14 1 13 1 0 0 0 0 -2.942130 1.843450 6.212280 1XA 0 0.06100 0.06100 DUDM C8 8
3 6 1 18 1 17 1 16 1 0 0 0 0 -2.177780 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 0.517234 0.111782 9.277220 1XA 0 -0.68000 -0.68000 DUDM O10 10
41 7 1 0 0 0 0 0 0 0 0 0 0 -0.596882 -0.497779 10.891400 1XA 0 0.00000 0.00000 DUDM H71 11
41 7 1 0 0 0 0 0 0 0 0 0 0 -0.868495 -1.376090 9.402110 1XA 0 0.00000 0.00000 DUDM H72 12
41 8 1 0 0 0 0 0 0 0 0 0 0 -2.549410 2.815060 5.899460 1XA 0 0.00000 0.00000 DUDM H81 13
41 8 1 0 0 0 0 0 0 0 0 0 0 -2.463240 1.056940 5.622760 1XA 0 0.00000 0.00000 DUDM H82 14
41 8 1 0 0 0 0 0 0 0 0 0 0 -4.020560 1.820290 6.031840 1XA 0 0.00000 0.00000 DUDM H83 15
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.378650 0.994446 12.198500 1XA 0 0.00000 0.00000 DUDM H91 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -2.330490 2.475440 12.182000 1XA 0 0.00000 0.00000 DUDM H92 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -3.103210 0.942104 11.777100 1XA 0 0.00000 0.00000 DUDM H93 18
42 10 1 0 0 0 0 0 0 0 0 0 0 0.242134 0.386150 8.382160 1XA 0 0.40000 0.40000 DUDM H10 19
41 6 1 0 0 0 0 0 0 0 0 0 0 -0.881744 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 1.969870 1.920920 9.728320 1XA 0 -0.33700 -0.33700 DUGM O1 1
25 1 1 4 2 0 0 0 0 0 0 0 0 0.705543 2.008290 9.129890 1XA 0 -0.51300 -0.51300 DUGM N1 2
24 5 3 0 0 0 0 0 0 0 0 0 0 0.759405 -0.860023 11.056600 1XA 0 -0.55710 -0.55710 DUGM N2 3
2 2 2 5 1 6 1 0 0 0 0 0 0 -0.083585 1.020400 9.448230 1XA 0 0.46880 0.46880 DUGM C1 4
1 3 3 4 1 0 0 0 0 0 0 0 0 0.415962 -0.007005 10.343700 1XA 0 0.45210 0.45210 DUGM C2 5
2 4 1 7 2 11 1 0 0 0 0 0 0 -1.470310 0.912333 8.927190 1XA 0 0.08620 0.08620 DUGM C3 6
2 6 2 8 1 13 1 0 0 0 0 0 0 -1.947880 1.908460 8.061920 1XA 0 -0.15000 -0.15000 DUGM C4 7
2 7 1 9 2 14 1 0 0 0 0 0 0 -3.246290 1.840520 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 0.778705 7.901380 1XA 0 -0.15000 -0.15000 DUGM C6 9
2 9 1 11 2 16 1 0 0 0 0 0 0 -3.613540 -0.216135 8.760020 1XA 0 -0.15000 -0.15000 DUGM C7 10
2 6 1 10 2 17 1 0 0 0 0 0 0 -2.314820 -0.153035 9.273290 1XA 0 -0.15000 -0.15000 DUGM C8 11
42 1 1 0 0 0 0 0 0 0 0 0 0 2.424760 2.717530 9.394060 1XA 0 0.40000 0.40000 DUGM H1 12
41 7 1 0 0 0 0 0 0 0 0 0 0 -1.314960 2.746610 7.776190 1XA 0 0.15000 0.15000 DUGM H4 13
41 8 1 0 0 0 0 0 0 0 0 0 0 -3.608010 2.617010 6.882020 1XA 0 0.15000 0.15000 DUGM H5 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -5.088660 0.726109 7.504100 1XA 0 0.15000 0.15000 DUGM H6 15
41 10 1 0 0 0 0 0 0 0 0 0 0 -4.264650 -1.044370 9.031400 1XA 0 0.15000 0.15000 DUGM H7 16
41 11 1 0 0 0 0 0 0 0 0 0 0 -1.992030 -0.949701 9.940010 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 -0.868823 0.186916 9.898090 1XA 0 1.33280 1.33280 UNCH S1 1
49 5 2 6 2 7 1 9 1 0 0 0 0 -0.741987 1.316870 7.234950 1XA 0 1.33280 1.33280 UNCH S2 2
15 1 2 0 0 0 0 0 0 0 0 0 0 0.448573 -0.339976 9.616780 1XA 0 -0.65000 -0.65000 UNCH O1 3
15 1 2 0 0 0 0 0 0 0 0 0 0 -1.803460 -0.610293 10.668800 1XA 0 -0.65000 -0.65000 UNCH O2 4
15 2 2 0 0 0 0 0 0 0 0 0 0 -0.017909 2.442100 7.785890 1XA 0 -0.65000 -0.65000 UNCH O3 5
15 2 2 0 0 0 0 0 0 0 0 0 0 -1.651450 1.528770 6.123920 1XA 0 -0.65000 -0.65000 UNCH O4 6
25 1 1 2 1 10 1 0 0 0 0 0 0 -1.620160 0.598115 8.462810 1XA 0 -0.63170 -0.63170 UNCH N1 7
3 1 1 11 1 12 1 13 1 0 0 0 0 -0.677076 1.742790 10.751500 1XA 0 0.10520 0.10520 UNCH C1 8
3 2 1 14 1 15 1 16 1 0 0 0 0 0.414377 0.064029 6.709680 1XA 0 0.10520 0.10520 UNCH C2 9
3 7 1 17 1 18 1 19 1 0 0 0 0 -3.014450 1.061880 8.563480 1XA 0 0.35570 0.35570 UNCH C3 10
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.324076 1.519320 11.761500 1XA 0 0.00000 0.00000 UNCH H1 11
41 8 1 0 0 0 0 0 0 0 0 0 0 0.063729 2.359860 10.246100 1XA 0 0.00000 0.00000 UNCH H2 12
41 8 1 0 0 0 0 0 0 0 0 0 0 -1.643490 2.245160 10.811200 1XA 0 0.00000 0.00000 UNCH H3 13
41 9 1 0 0 0 0 0 0 0 0 0 0 0.781677 0.352136 5.721170 1XA 0 0.00000 0.00000 UNCH H4 14
41 9 1 0 0 0 0 0 0 0 0 0 0 1.259000 0.016025 7.394630 1XA 0 0.00000 0.00000 UNCH H5 15
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.106037 -0.892403 6.635750 1XA 0 0.00000 0.00000 UNCH H6 16
41 10 1 0 0 0 0 0 0 0 0 0 0 -3.534100 0.624592 9.420480 1XA 0 0.00000 0.00000 UNCH H7 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -3.058080 2.150890 8.660960 1XA 0 0.00000 0.00000 UNCH H8 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -3.577760 0.748410 7.678890 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 -2.080580 3.512640 8.737900 1XA 0 1.33400 1.33400 UNCH S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 -1.967980 4.260150 9.975870 1XA 0 -0.65000 -0.65000 UNCH O1 2
15 1 2 0 0 0 0 0 0 0 0 0 0 -2.819670 4.073370 7.622850 1XA 0 -0.65000 -0.65000 UNCH O2 3
2 5 2 8 1 12 1 0 0 0 0 0 0 -0.077805 1.875680 8.142920 1XA 0 -0.04100 -0.04100 UNCH C1 4
2 1 1 4 2 13 1 0 0 0 0 0 0 -0.501337 3.140460 8.195830 1XA 0 -0.16700 -0.16700 UNCH C2 5
2 1 1 7 2 14 1 0 0 0 0 0 0 -2.768680 1.987690 9.108010 1XA 0 -0.16700 -0.16700 UNCH C3 6
2 6 2 8 1 15 1 0 0 0 0 0 0 -2.072840 0.858842 8.945760 1XA 0 -0.04100 -0.04100 UNCH C4 7
25 4 1 7 1 9 1 0 0 0 0 0 0 -0.771227 0.719824 8.485660 1XA 0 -0.27800 -0.27800 UNCH N1 8
2 8 1 10 1 11 2 0 0 0 0 0 0 -0.109888 -0.520598 8.344750 1XA 0 0.56900 0.56900 UNCH C5 9
3 9 1 16 1 17 1 18 1 0 0 0 0 -0.875204 -1.768130 8.720790 1XA 0 0.06100 0.06100 UNCH C6 10
15 9 2 0 0 0 0 0 0 0 0 0 0 1.049340 -0.625980 7.933530 1XA 0 -0.57000 -0.57000 UNCH O3 11
41 4 1 0 0 0 0 0 0 0 0 0 0 0.940187 1.709670 7.787630 1XA 0 0.15000 0.15000 UNCH H1 12
41 5 1 0 0 0 0 0 0 0 0 0 0 0.127877 3.967960 7.902390 1XA 0 0.15000 0.15000 UNCH H2 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -3.784550 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 -2.592330 -0.058737 9.206630 1XA 0 0.15000 0.15000 UNCH H4 15
41 10 1 0 0 0 0 0 0 0 0 0 0 -1.760650 -1.876790 8.089060 1XA 0 0.00000 0.00000 UNCH H61 16
41 10 1 0 0 0 0 0 0 0 0 0 0 -0.237686 -2.643350 8.559510 1XA 0 0.00000 0.00000 UNCH H62 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -1.149060 -1.742670 9.778740 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 0.482982 7.945470 1XA 0 0.73000 0.73000 UNCH C1 1
16 1 1 3 1 0 0 0 0 0 0 0 0 -1.415080 -0.634043 7.108250 1XA 0 -0.56000 -0.56000 UNCH O1 2
3 2 1 4 1 22 1 23 1 0 0 0 0 0.001851 -0.824766 7.018860 1XA 0 0.28000 0.28000 UNCH C2 3
3 3 1 5 1 24 1 25 1 0 0 0 0 0.773736 0.432164 6.602850 1XA 0 0.27000 0.27000 UNCH C3 4
26 4 1 6 1 7 1 0 0 0 0 0 0 0.524904 1.525090 7.550840 1XA 0 -0.81000 -0.81000 UNCH N1 5
3 5 1 26 1 27 1 28 1 0 0 0 0 1.296110 2.714830 7.210000 1XA 0 0.27000 0.27000 UNCH C100 6
3 1 1 5 1 8 1 18 1 0 0 0 0 -0.933254 1.802330 7.571630 1XA 0 0.55000 0.55000 UNCH C4 7
16 7 1 9 1 0 0 0 0 0 0 0 0 -1.316210 2.361870 6.293950 1XA 0 -0.56000 -0.56000 UNCH O2 8
3 8 1 10 1 29 1 30 1 0 0 0 0 -2.713910 2.632100 6.255530 1XA 0 0.28000 0.28000 UNCH C5 9
3 9 1 11 1 31 1 32 1 0 0 0 0 -3.513120 1.341590 6.424660 1XA 0 0.27000 0.27000 UNCH C6 10
26 1 1 10 1 12 1 0 0 0 0 0 0 -3.277820 0.741779 7.746730 1XA 0 -0.81000 -0.81000 UNCH N2 11
3 11 1 33 1 34 1 35 1 0 0 0 0 -4.101670 -0.457975 7.897110 1XA 0 0.27000 0.27000 UNCH C200 12
2 1 1 14 2 15 1 0 0 0 0 0 0 -1.579630 0.104281 9.404700 1XA 0 -0.04000 -0.04000 UNCH C7 13
2 13 2 17 1 19 1 0 0 0 0 0 0 -1.416140 -1.100660 10.068900 1XA 0 -0.15000 -0.15000 UNCH C8 14
16 13 1 16 1 0 0 0 0 0 0 0 0 -1.561060 1.124710 10.320800 1XA 0 -0.28000 -0.28000 UNCH O3 15
2 15 1 17 2 20 1 0 0 0 0 0 0 -1.361270 0.569789 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 -0.796790 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 2.575740 8.328200 1XA 0 0.00000 0.00000 UNCH H4 18
41 14 1 0 0 0 0 0 0 0 0 0 0 -1.413380 -2.077030 9.604750 1XA 0 0.15000 0.15000 UNCH H8 19
41 16 1 0 0 0 0 0 0 0 0 0 0 -1.316030 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 -1.114420 -1.487390 12.259200 1XA 0 0.15000 0.15000 UNCH H10 21
41 3 1 0 0 0 0 0 0 0 0 0 0 0.386317 -1.214870 7.967200 1XA 0 0.00000 0.00000 UNCH H21 22
41 3 1 0 0 0 0 0 0 0 0 0 0 0.168266 -1.609050 6.272470 1XA 0 0.00000 0.00000 UNCH H22 23
41 4 1 0 0 0 0 0 0 0 0 0 0 1.842900 0.189676 6.584630 1XA 0 0.00000 0.00000 UNCH H31 24
41 4 1 0 0 0 0 0 0 0 0 0 0 0.483883 0.718650 5.583940 1XA 0 0.00000 0.00000 UNCH H32 25
41 6 1 0 0 0 0 0 0 0 0 0 0 2.368410 2.503870 7.290080 1XA 0 0.00000 0.00000 UNCH H11 26
41 6 1 0 0 0 0 0 0 0 0 0 0 1.101110 3.077640 6.194680 1XA 0 0.00000 0.00000 UNCH H12 27
41 6 1 0 0 0 0 0 0 0 0 0 0 1.084400 3.526890 7.914320 1XA 0 0.00000 0.00000 UNCH H13 28
41 9 1 0 0 0 0 0 0 0 0 0 0 -2.935640 3.075850 5.279560 1XA 0 0.00000 0.00000 UNCH H51 29
41 9 1 0 0 0 0 0 0 0 0 0 0 -2.971540 3.374230 7.020820 1XA 0 0.00000 0.00000 UNCH H52 30
41 10 1 0 0 0 0 0 0 0 0 0 0 -3.241990 0.636513 5.628260 1XA 0 0.00000 0.00000 UNCH H61 31
41 10 1 0 0 0 0 0 0 0 0 0 0 -4.576850 1.582560 6.311910 1XA 0 0.00000 0.00000 UNCH H62 32
41 12 1 0 0 0 0 0 0 0 0 0 0 -3.853650 -1.239890 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 -0.205725 7.763180 1XA 0 0.00000 0.00000 UNCH H22_ 34
41 12 1 0 0 0 0 0 0 0 0 0 0 -4.027170 -0.880193 8.903540 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 -0.942062 1.498350 9.437090 1XA 0 -0.13300 -0.13300 DUKV S1 1
31 8 1 6 2 3 1 0 0 0 0 0 0 -1.985470 -0.405395 8.171260 1XA 0 -0.39700 -0.39700 DUKV N1 2
25 2 1 7 2 0 0 0 0 0 0 0 0 -2.386720 0.702334 7.446720 1XA 0 -0.29110 -0.29110 DUKV N2 3
25 10 1 9 1 6 1 0 0 0 0 0 0 -0.731441 -1.115310 10.045700 1XA 0 -0.73200 -0.73200 DUKV N3 4
25 12 1 11 1 7 1 0 0 0 0 0 0 -2.066290 3.030430 7.550040 1XA 0 -0.88400 -0.88400 DUKV N4 5
2 1 1 2 2 4 1 0 0 0 0 0 0 -1.217670 -0.190803 9.241030 1XA 0 0.82500 0.82500 DUKV C1 6
2 1 1 3 2 5 1 0 0 0 0 0 0 -1.888290 1.783680 8.009430 1XA 0 0.46210 0.46210 DUKV C2 7
44 2 1 0 0 0 0 0 0 0 0 0 0 -2.254670 -1.350680 7.905130 1XA 0 0.45000 0.45000 DUKV H1 8
43 4 1 0 0 0 0 0 0 0 0 0 0 -0.159692 -0.797061 10.818800 1XA 0 0.45000 0.45000 DUKV H31 9
43 4 1 0 0 0 0 0 0 0 0 0 0 -0.918864 -2.094090 9.886750 1XA 0 0.45000 0.45000 DUKV H32 10
43 5 1 0 0 0 0 0 0 0 0 0 0 -1.868970 3.836200 8.135580 1XA 0 0.40000 0.40000 DUKV H41 11
43 5 1 0 0 0 0 0 0 0 0 0 0 -2.775090 3.199740 6.840990 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 2.178120 0.520918 5.944470 1XA 0 1.37850 1.37850 DUKV S1 1
16 14 1 27 1 0 0 0 0 0 0 0 0 0.654463 -0.213720 10.202500 1XA 0 -0.68000 -0.68000 DUKV O51 2
16 10 1 14 1 0 0 0 0 0 0 0 0 1.602040 -1.451860 8.476080 1XA 0 -0.56000 -0.56000 DUKV O1 3
15 1 2 0 0 0 0 0 0 0 0 0 0 2.484370 1.874310 6.350280 1XA 0 -0.65000 -0.65000 DUKV O11 4
16 1 1 28 1 0 0 0 0 0 0 0 0 2.893190 0.339047 4.507190 1XA 0 -0.68370 -0.68370 DUKV O12 5
15 1 2 0 0 0 0 0 0 0 0 0 0 0.821989 0.039691 5.822610 1XA 0 -0.65000 -0.65000 DUKV O13 6
16 11 1 25 1 0 0 0 0 0 0 0 0 5.074190 -0.373847 9.109090 1XA 0 -0.68000 -0.68000 DUKV O21 7
16 12 1 26 1 0 0 0 0 0 0 0 0 4.476180 -1.817890 11.470100 1XA 0 -0.68000 -0.68000 DUKV O31 8
26 13 1 16 1 17 1 0 0 0 0 0 0 1.714790 -2.034820 12.218300 1XA 0 -0.99000 -0.99000 DUKV N1 9
3 3 1 11 1 15 1 20 1 0 0 0 0 2.773020 -0.632425 8.330810 1XA 0 0.28000 0.28000 DUKV C1 10
3 7 1 10 1 12 1 22 1 0 0 0 0 3.902390 -1.185290 9.209960 1XA 0 0.28000 0.28000 DUKV C2 11
3 8 1 11 1 13 1 23 1 0 0 0 0 3.438580 -1.229390 10.668400 1XA 0 0.28000 0.28000 DUKV C3 12
3 9 1 12 1 14 1 21 1 0 0 0 0 2.144620 -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 1.090320 -1.503160 9.801520 1XA 0 0.56000 0.56000 DUKV C5 14
3 1 1 10 1 18 1 19 1 0 0 0 0 3.182500 -0.634872 6.862290 1XA 0 0.10520 0.10520 DUKV C11 15
43 9 1 0 0 0 0 0 0 0 0 0 0 1.379190 -1.085340 12.419200 1XA 0 0.36000 0.36000 DUKV H11 16
43 9 1 0 0 0 0 0 0 0 0 0 0 0.881406 -2.617760 12.314100 1XA 0 0.36000 0.36000 DUKV H12 17
41 15 1 0 0 0 0 0 0 0 0 0 0 4.216360 -0.304204 6.723670 1XA 0 0.00000 0.00000 DUKV H112 18
41 15 1 0 0 0 0 0 0 0 0 0 0 3.041870 -1.618870 6.403890 1XA 0 0.00000 0.00000 DUKV H111 19
41 10 1 0 0 0 0 0 0 0 0 0 0 2.541880 0.395370 8.639050 1XA 0 0.00000 0.00000 DUKV H1 20
41 13 1 0 0 0 0 0 0 0 0 0 0 2.374550 -3.090340 10.536500 1XA 0 0.00000 0.00000 DUKV H4 21
41 11 1 0 0 0 0 0 0 0 0 0 0 4.180960 -2.196400 8.886890 1XA 0 0.00000 0.00000 DUKV H2 22
41 12 1 0 0 0 0 0 0 0 0 0 0 3.303050 -0.207129 11.044800 1XA 0 0.00000 0.00000 DUKV H3 23
41 14 1 0 0 0 0 0 0 0 0 0 0 0.219105 -2.167690 9.802260 1XA 0 0.00000 0.00000 DUKV H5 24
42 7 1 0 0 0 0 0 0 0 0 0 0 5.635880 -0.645276 9.865150 1XA 0 0.40000 0.40000 DUKV H21 25
42 8 1 0 0 0 0 0 0 0 0 0 0 4.025570 -2.052660 12.309200 1XA 0 0.40000 0.40000 DUKV H31 26
42 2 1 0 0 0 0 0 0 0 0 0 0 -0.118283 -0.023153 9.640440 1XA 0 0.40000 0.40000 DUKV H51 27
42 5 1 0 0 0 0 0 0 0 0 0 0 3.227070 1.218230 4.225430 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 -2.744480 0.733908 5.623890 1XA 0 -0.23000 -0.23000 DUKZ BR1 1
3 3 1 9 1 10 1 11 1 0 0 0 0 -1.117160 1.044290 8.004730 1XA 0 0.25790 0.25790 DUKZ C1 2
3 1 1 2 1 4 1 13 1 0 0 0 0 -1.993980 0.029773 7.289620 1XA 0 0.23000 0.23000 DUKZ C2 3
3 3 1 5 1 14 1 15 1 0 0 0 0 -3.119870 -0.231902 8.282160 1XA 0 0.27000 0.27000 DUKZ C3 4
26 4 1 6 1 9 1 0 0 0 0 0 0 -3.347550 1.046310 8.995920 1XA 0 -0.74960 -0.74960 DUKZ N1 5
3 5 1 7 1 16 1 17 1 0 0 0 0 -3.519590 0.841309 10.440500 1XA 0 0.27000 0.27000 DUKZ C5 6
3 6 1 8 1 18 1 19 1 0 0 0 0 -2.125390 0.620721 11.018200 1XA 0 0.00000 0.00000 DUKZ C6 7
3 7 1 9 1 11 1 20 1 0 0 0 0 -1.211930 1.364920 10.065900 1XA 0 0.25790 0.25790 DUKZ C7 8
3 2 1 5 1 8 1 21 1 0 0 0 0 -2.082510 1.827800 8.895790 1XA 0 0.20960 0.20960 DUKZ C8 9
3 2 1 12 1 22 1 23 1 0 0 0 0 -0.085248 1.789920 7.167190 1XA 0 0.28000 0.28000 DUKZ C9 10
16 2 1 8 1 0 0 0 0 0 0 0 0 -0.463873 0.459170 9.192600 1XA 0 -0.51580 -0.51580 DUKZ O1 11
16 10 1 24 1 0 0 0 0 0 0 0 0 0.844894 2.471490 8.014400 1XA 0 -0.68000 -0.68000 DUKZ O2 12
41 3 1 0 0 0 0 0 0 0 0 0 0 -1.455050 -0.882320 7.017250 1XA 0 0.00000 0.00000 DUKZ H2 13
41 4 1 0 0 0 0 0 0 0 0 0 0 -2.800630 -1.028550 8.966480 1XA 0 0.00000 0.00000 DUKZ H3 14
41 4 1 0 0 0 0 0 0 0 0 0 0 -4.047330 -0.573469 7.810280 1XA 0 0.00000 0.00000 DUKZ H31 15
41 6 1 0 0 0 0 0 0 0 0 0 0 -4.207590 0.023444 10.680900 1XA 0 0.00000 0.00000 DUKZ H5 16
41 6 1 0 0 0 0 0 0 0 0 0 0 -3.950910 1.755270 10.868100 1XA 0 0.00000 0.00000 DUKZ H51 17
41 7 1 0 0 0 0 0 0 0 0 0 0 -1.874480 -0.444842 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 1.025440 12.033400 1XA 0 0.00000 0.00000 DUKZ H61 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.554509 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 -2.183790 2.904200 8.744970 1XA 0 0.00000 0.00000 DUKZ H8 21
41 10 1 0 0 0 0 0 0 0 0 0 0 0.488534 1.098110 6.541900 1XA 0 0.00000 0.00000 DUKZ H9 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -0.547999 2.540990 6.521110 1XA 0 0.00000 0.00000 DUKZ H91 23
42 12 1 0 0 0 0 0 0 0 0 0 0 1.177730 1.795310 8.636520 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 8.673420 9.329240 1.188340 1XA 0 -0.56000 -0.56000 DULY O1 1
3 1 1 3 1 15 1 16 1 0 0 0 0 9.332510 9.312690 -0.080447 1XA 0 0.28000 0.28000 DULY C2 2
3 2 1 4 1 7 1 17 1 0 0 0 0 10.116600 8.032960 -0.338672 1XA 0 0.28000 0.28000 DULY C3 3
16 3 1 5 1 0 0 0 0 0 0 0 0 9.245110 6.952600 -0.678050 1XA 0 -0.43000 -0.43000 DULY O3 4
2 4 1 6 2 8 1 0 0 0 0 0 0 9.897280 5.834200 -0.278451 1XA 0 0.68000 0.68000 DULY C34 5
49 5 2 0 0 0 0 0 0 0 0 0 0 9.430980 4.318770 -0.687901 1XA 0 -0.38000 -0.38000 DULY S1 6
3 3 1 8 1 9 1 18 1 0 0 0 0 10.867200 7.486290 0.852697 1XA 0 0.28000 0.28000 DULY C4 7
16 5 1 7 1 0 0 0 0 0 0 0 0 10.967400 6.096850 0.511964 1XA 0 -0.43000 -0.43000 DULY O4 8
3 7 1 10 1 12 1 19 1 0 0 0 0 10.112200 7.652680 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 7.392530 3.330420 1XA 0 -0.56000 -0.56000 DULY O5 10
3 10 1 20 1 21 1 22 1 0 0 0 0 11.313900 6.029520 3.482610 1XA 0 0.28000 0.28000 DULY C51 11
3 1 1 9 1 13 1 23 1 0 0 0 0 9.574110 9.094090 2.272920 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 2.260640 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 8.554130 9.434750 -0.841066 1XA 0 0.00000 0.00000 DULY H21 15
41 2 1 0 0 0 0 0 0 0 0 0 0 9.991790 10.185500 -0.146393 1XA 0 0.00000 0.00000 DULY H22 16
41 3 1 0 0 0 0 0 0 0 0 0 0 10.778900 8.178940 -1.201520 1XA 0 0.00000 0.00000 DULY H3 17
41 7 1 0 0 0 0 0 0 0 0 0 0 11.876700 7.905930 0.922869 1XA 0 0.00000 0.00000 DULY H4 18
41 9 1 0 0 0 0 0 0 0 0 0 0 9.256720 6.964850 2.219270 1XA 0 0.00000 0.00000 DULY H5 19
41 11 1 0 0 0 0 0 0 0 0 0 0 12.082600 5.757520 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 3.392490 1XA 0 0.00000 0.00000 DULY H512 21
41 11 1 0 0 0 0 0 0 0 0 0 0 11.740600 5.904910 4.481800 1XA 0 0.00000 0.00000 DULY H513 22
41 12 1 0 0 0 0 0 0 0 0 0 0 9.017790 9.194650 3.213180 1XA 0 0.00000 0.00000 DULY H6 23
41 14 1 0 0 0 0 0 0 0 0 0 0 9.928890 11.243000 3.784840 1XA 0 0.00000 0.00000 DULY H611 24
41 14 1 0 0 0 0 0 0 0 0 0 0 9.434990 11.715200 2.125070 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 2.678410 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 3.890060 1.291430 3.435020 1XA 0 -0.51580 -0.51580 UNCH O1 1
3 1 1 3 1 17 1 18 1 0 0 0 0 3.519450 2.301770 2.461280 1XA 0 0.25790 0.25790 UNCH C2 2
3 2 1 4 1 5 1 6 1 0 0 0 0 3.498300 3.390510 3.571900 1XA 0 0.00000 0.00000 UNCH C3 3
3 1 1 3 1 19 1 20 1 0 0 0 0 4.338530 2.335060 4.342210 1XA 0 0.25790 0.25790 UNCH C4 4
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3 3 1 12 1 23 1 24 1 0 0 0 0 2.045900 3.533600 4.103150 1XA 0 0.27000 0.27000 UNCH C6 6
26 5 1 8 1 9 1 0 0 0 0 0 0 5.461710 4.633430 2.592890 1XA 0 -0.53300 -0.53300 UNCH N7 7
3 7 1 25 1 26 1 27 1 0 0 0 0 6.516160 5.103340 3.487540 1XA 0 0.27000 0.27000 UNCH C8 8
31 7 1 10 1 11 2 0 0 0 0 0 0 5.569960 5.031720 1.274690 1XA 0 1.03300 1.03300 UNCH N9 9
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15 9 2 0 0 0 0 0 0 0 0 0 0 6.640220 5.532460 0.923567 1XA 0 -0.52000 -0.52000 UNCH O11 11
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24 [DUPHEB,24,24,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
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57 6 1 0 0 0 0 0 0 0 0 0 0 0.873651 0.006496 1.463050 1XA 0 -0.17700 -0.17700 UNCH CL1 2
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2 1 1 3 2 13 1 0 0 0 0 0 0 4.246150 2.194200 3.134700 1XA 0 0.20100 0.20100 UNCH C2 4
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31 3 1 14 1 15 2 0 0 0 0 0 0 5.547710 1.860760 1.091240 1XA 0 0.83560 0.83560 UNCH N1 12
25 4 1 5 1 24 1 0 0 0 0 0 0 3.228220 1.310980 2.795330 1XA 0 -0.60000 -0.60000 UNCH N2 13
18 12 1 0 0 0 0 0 0 0 0 0 0 4.678330 1.123000 0.607464 1XA 0 -0.52000 -0.52000 UNCH O1 14
15 12 2 0 0 0 0 0 0 0 0 0 0 6.626480 2.132340 0.550304 1XA 0 -0.52000 -0.52000 UNCH O2 15
41 3 1 0 0 0 0 0 0 0 0 0 0 6.111650 3.177690 2.597390 1XA 0 0.15000 0.15000 UNCH H1 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -0.156052 -1.750340 3.413170 1XA 0 0.15000 0.15000 UNCH H5 17
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41 9 1 0 0 0 0 0 0 0 0 0 0 2.558730 -1.132830 6.676590 1XA 0 0.15000 0.15000 UNCH H7 19
41 10 1 0 0 0 0 0 0 0 0 0 0 3.823810 0.483667 5.354010 1XA 0 0.15000 0.15000 UNCH H8 20
41 11 1 0 0 0 0 0 0 0 0 0 0 2.358580 4.544900 5.325010 1XA 0 0.00000 0.00000 UNCH H19 21
41 11 1 0 0 0 0 0 0 0 0 0 0 2.307760 4.269260 3.573520 1XA 0 0.00000 0.00000 UNCH H29 22
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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 1.428510 1.457010 3.634350 1XA 0 0.31720 0.31720 DUPT N1 1
2 1 1 15 1 3 2 0 0 0 0 0 0 0.422818 0.667800 3.139660 1XA 0 -0.30160 -0.30160 DUPT C2 2
2 2 2 16 1 4 1 0 0 0 0 0 0 -0.721506 0.974499 3.846890 1XA 0 -0.15000 -0.15000 DUPT C3 3
2 3 1 17 1 5 2 0 0 0 0 0 0 -0.375735 1.951390 4.817920 1XA 0 -0.15000 -0.15000 DUPT C4 4
2 1 1 4 2 18 1 0 0 0 0 0 0 0.971128 2.216910 4.679500 1XA 0 -0.30160 -0.30160 DUPT C5 5
49 1 1 9 1 8 2 7 2 0 0 0 0 3.065410 1.320610 3.188700 1XA 0 1.29500 1.29500 DUPT S6 6
15 6 2 0 0 0 0 0 0 0 0 0 0 3.683560 2.579210 3.561040 1XA 0 -0.65000 -0.65000 DUPT O7 7
15 6 2 0 0 0 0 0 0 0 0 0 0 3.064700 0.830790 1.823080 1XA 0 -0.65000 -0.65000 DUPT O8 8
2 6 1 14 1 10 2 0 0 0 0 0 0 3.671030 0.044369 4.256970 1XA 0 -0.00900 -0.00900 DUPT C9 9
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41 2 1 0 0 0 0 0 0 0 0 0 0 0.596942 -0.025692 2.326690 1XA 0 0.15000 0.15000 DUPT H2 15
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41 10 1 0 0 0 0 0 0 0 0 0 0 3.220590 -1.555420 2.862240 1XA 0 0.15000 0.15000 DUPT H10 19
41 11 1 0 0 0 0 0 0 0 0 0 0 4.070590 -3.329900 4.364430 1XA 0 0.15000 0.15000 DUPT H11 20
41 12 1 0 0 0 0 0 0 0 0 0 0 5.012430 -2.741100 6.581560 1XA 0 0.15000 0.15000 DUPT H12 21
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41 14 1 0 0 0 0 0 0 0 0 0 0 4.274260 1.421480 5.821320 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 -1.628580 8.408640 1XA 0 -0.17420 -0.17420 UNCH C1 1
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3 2 1 7 1 6 1 5 1 0 0 0 0 5.342580 -1.630930 10.698400 1XA 0 0.23720 0.23720 UNCH C3 3
3 1 1 14 1 13 1 12 1 0 0 0 0 4.699190 -1.847000 6.970950 1XA 0 0.13820 0.13820 UNCH C4 4
3 3 1 17 1 16 1 15 1 0 0 0 0 6.739700 -1.786990 11.285300 1XA 0 0.00000 0.00000 UNCH C5 5
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31 3 1 9 1 8 2 0 0 0 0 0 0 5.218450 -0.249222 10.164100 1XA 0 0.53400 0.53400 UNCH N1 7
31 1 1 7 2 10 1 0 0 0 0 0 0 4.994840 -0.264965 8.876300 1XA 0 0.66900 0.66900 UNCH N2 8
18 7 1 0 0 0 0 0 0 0 0 0 0 5.318150 0.807353 10.874500 1XA 0 -0.63300 -0.63300 UNCH O1 9
18 8 1 0 0 0 0 0 0 0 0 0 0 4.851490 0.799134 8.190220 1XA 0 -0.63300 -0.63300 UNCH O2 10
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41 4 1 0 0 0 0 0 0 0 0 0 0 3.735120 -1.424170 6.671160 1XA 0 0.00000 0.00000 UNCH H42 13
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41 6 1 0 0 0 0 0 0 0 0 0 0 4.347610 -1.171750 12.579600 1XA 0 0.00000 0.00000 UNCH H61 18
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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 6.586390 0.065929 12.816000 1XA 0 0.08250 0.08250 DUTH C2 1
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2 2 1 19 1 4 2 0 0 0 0 0 0 7.195500 -1.308430 10.926600 1XA 0 -0.15000 -0.15000 DUTH C4 3
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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 1.239980 0.960842 1.973710 1XA 0 -0.10100 -0.10100 UNCH S1 1
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41 11 1 0 0 0 0 0 0 0 0 0 0 3.341170 0.709529 -1.075270 1XA 0 0.15000 0.15000 UNCH H6 20
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25 13 1 6 1 2 1 0 0 0 0 0 0 2.826640 1.440600 7.813830 1XA 0 -0.49000 -0.49000 DUVX N1 1
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25 2 1 11 1 4 1 0 0 0 0 0 0 2.526780 1.103470 10.139100 1XA 0 -0.42310 -0.42310 DUVX N3 3
2 3 1 9 2 5 1 0 0 0 0 0 0 1.868410 -0.071010 9.817690 1XA 0 0.35180 0.35180 DUVX C4 4
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2 1 1 5 1 12 2 0 0 0 0 0 0 2.186170 0.289476 7.393980 1XA 0 0.71600 0.71600 DUVX C6 6
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25 7 1 17 1 9 1 0 0 0 0 0 0 0.838069 -1.870860 9.792210 1XA 0 0.56600 0.56600 DUVX N8 8
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3 3 1 16 1 15 1 14 1 0 0 0 0 2.695500 1.508560 11.522300 1XA 0 0.30010 0.30010 DUVX C3 11
15 6 2 0 0 0 0 0 0 0 0 0 0 2.078060 0.005722 6.205410 1XA 0 -0.57000 -0.57000 DUVX O6 12
43 1 1 0 0 0 0 0 0 0 0 0 0 3.197600 2.029430 7.083430 1XA 0 0.37000 0.37000 DUVX H1 13
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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 5.978160 5.221810 1.692070 1XA 0 0.67120 0.67120 DUWG P1 1
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3 3 1 14 1 13 1 6 1 0 0 0 0 8.055400 6.451860 2.840170 1XA 0 0.27000 0.27000 DUWG C2 5
3 5 1 16 1 15 1 7 1 0 0 0 0 7.403920 5.607510 3.923620 1XA 0 0.50300 0.50300 DUWG C3 6
32 1 1 6 1 9 1 8 1 0 0 0 0 5.940550 5.454240 3.511810 1XA 0 -0.85800 -0.85800 DUWG N4 7
3 7 1 19 1 18 1 17 1 0 0 0 0 5.143370 6.736840 3.772300 1XA 0 0.50300 0.50300 DUWG C41 8
3 7 1 22 1 21 1 20 1 0 0 0 0 5.258630 4.332880 4.274190 1XA 0 0.50300 0.50300 DUWG C42 9
41 4 1 0 0 0 0 0 0 0 0 0 0 8.772920 7.192440 0.425769 1XA 0 0.00000 0.00000 DUWG H111 10
41 4 1 0 0 0 0 0 0 0 0 0 0 7.127820 7.836610 0.596225 1XA 0 0.00000 0.00000 DUWG H112 11
41 4 1 0 0 0 0 0 0 0 0 0 0 7.459190 6.462830 -0.481036 1XA 0 0.00000 0.00000 DUWG H113 12
41 5 1 0 0 0 0 0 0 0 0 0 0 9.143510 6.326430 2.856630 1XA 0 0.00000 0.00000 DUWG H21 13
41 5 1 0 0 0 0 0 0 0 0 0 0 7.841060 7.513400 3.017540 1XA 0 0.00000 0.00000 DUWG H22 14
41 6 1 0 0 0 0 0 0 0 0 0 0 7.441190 6.076980 4.912290 1XA 0 0.00000 0.00000 DUWG H31 15
41 6 1 0 0 0 0 0 0 0 0 0 0 7.852120 4.607540 3.979620 1XA 0 0.00000 0.00000 DUWG H32 16
41 8 1 0 0 0 0 0 0 0 0 0 0 5.193090 6.952120 4.844720 1XA 0 0.00000 0.00000 DUWG H411 17
41 8 1 0 0 0 0 0 0 0 0 0 0 4.101560 6.571020 3.476200 1XA 0 0.00000 0.00000 DUWG H412 18
41 8 1 0 0 0 0 0 0 0 0 0 0 5.570870 7.575340 3.214030 1XA 0 0.00000 0.00000 DUWG H413 19
41 9 1 0 0 0 0 0 0 0 0 0 0 5.895620 3.445190 4.300020 1XA 0 0.00000 0.00000 DUWG H421 20
41 9 1 0 0 0 0 0 0 0 0 0 0 5.114900 4.669220 5.306860 1XA 0 0.00000 0.00000 DUWG H422 21
41 9 1 0 0 0 0 0 0 0 0 0 0 4.285820 4.122500 3.818410 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 9.564950 -2.819180 1.368700 1XA 0 -0.29000 -0.29000 UNCH CL1 1
57 13 1 0 0 0 0 0 0 0 0 0 0 7.106570 -2.911560 -0.197986 1XA 0 -0.29000 -0.29000 UNCH CL2 2
57 13 1 0 0 0 0 0 0 0 0 0 0 7.738220 -5.042370 1.708670 1XA 0 -0.29000 -0.29000 UNCH CL3 3
16 8 1 9 1 0 0 0 0 0 0 0 0 7.128970 1.994040 1.846160 1XA 0 0.24180 0.24180 UNCH O1 4
2 8 2 10 1 14 1 0 0 0 0 0 0 5.895020 0.222089 1.843720 1XA 0 0.37180 0.37180 UNCH C4 5
16 12 1 15 1 0 0 0 0 0 0 0 0 5.438000 -2.229470 3.999860 1XA 0 -0.21700 -0.21700 UNCH O9 6
25 10 1 11 1 21 1 0 0 0 0 0 0 7.633660 -1.281320 2.921510 1XA 0 -0.53300 -0.53300 UNCH N6 7
25 4 1 5 2 0 0 0 0 0 0 0 0 5.882830 1.504670 1.490280 1XA 0 -0.40970 -0.40970 UNCH N5 8
25 4 1 10 2 0 0 0 0 0 0 0 0 7.917790 1.006210 2.415920 1XA 0 -0.40970 -0.40970 UNCH N2 9
2 5 1 7 1 9 2 0 0 0 0 0 0 7.161900 -0.095436 2.429780 1XA 0 0.37180 0.37180 UNCH C3 10
2 7 1 12 2 13 1 0 0 0 0 0 0 7.075430 -2.483350 2.478590 1XA 0 0.43900 0.43900 UNCH C7 11
25 6 1 11 2 0 0 0 0 0 0 0 0 5.952690 -2.989240 2.936310 1XA 0 -0.51300 -0.51300 UNCH N8 12
3 1 1 2 1 3 1 11 1 0 0 0 0 7.836370 -3.294840 1.376220 1XA 0 0.93100 0.93100 UNCH C11 13
25 5 1 19 1 20 1 0 0 0 0 0 0 4.855070 -0.617976 1.651020 1XA 0 -0.88300 -0.88300 UNCH N12 14
3 6 1 16 1 17 1 18 1 0 0 0 0 4.412340 -2.982480 4.640510 1XA 0 0.28000 0.28000 UNCH C10 15
41 15 1 0 0 0 0 0 0 0 0 0 0 4.012910 -2.388390 5.466420 1XA 0 0.00000 0.00000 UNCH H101 16
41 15 1 0 0 0 0 0 0 0 0 0 0 4.822300 -3.914920 5.040280 1XA 0 0.00000 0.00000 UNCH H102 17
41 15 1 0 0 0 0 0 0 0 0 0 0 3.603970 -3.196270 3.934670 1XA 0 0.00000 0.00000 UNCH H103 18
43 14 1 0 0 0 0 0 0 0 0 0 0 4.786690 -1.437270 2.259800 1XA 0 0.40000 0.40000 UNCH H122 19
43 14 1 0 0 0 0 0 0 0 0 0 0 3.951540 -0.190803 1.476050 1XA 0 0.40000 0.40000 UNCH H121 20
43 7 1 0 0 0 0 0 0 0 0 0 0 8.652150 -1.274190 2.927970 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 0.024480 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 -0.846491 3.587920 11.834800 1XA 0 0.83560 0.83560 UNCH N1 2
18 2 1 0 0 0 0 0 0 0 0 0 0 -0.317836 3.193050 12.885700 1XA 0 -0.52000 -0.52000 UNCH O1 3
15 2 2 0 0 0 0 0 0 0 0 0 0 -2.061190 3.799110 11.701100 1XA 0 -0.52000 -0.52000 UNCH O2 4
2 1 2 6 1 14 1 0 0 0 0 0 0 1.305980 3.425780 10.691800 1XA 0 -0.28820 -0.28820 UNCH C2 5
3 5 1 7 1 8 1 15 1 0 0 0 0 2.182050 3.677510 9.516570 1XA 0 0.41820 0.41820 UNCH C3 6
16 6 1 16 1 0 0 0 0 0 0 0 0 2.562930 2.421930 8.969300 1XA 0 -0.68000 -0.68000 UNCH O3 7
3 6 1 9 1 10 1 17 1 0 0 0 0 1.518420 4.577870 8.452870 1XA 0 0.28000 0.28000 UNCH C4 8
16 8 1 18 1 0 0 0 0 0 0 0 0 1.760650 5.959440 8.781650 1XA 0 -0.68000 -0.68000 UNCH O4 9
3 8 1 11 1 12 1 19 1 0 0 0 0 -0.011222 4.380430 8.372120 1XA 0 0.28000 0.28000 UNCH C5 10
16 1 1 10 1 0 0 0 0 0 0 0 0 -0.671178 4.391040 9.653940 1XA 0 -0.35670 -0.35670 UNCH O5 11
3 10 1 13 1 20 1 21 1 0 0 0 0 -0.448760 3.132890 7.585390 1XA 0 0.28000 0.28000 UNCH C6 12
16 12 1 22 1 0 0 0 0 0 0 0 0 0.129821 1.934160 8.100790 1XA 0 -0.68000 -0.68000 UNCH O6 13
41 5 1 0 0 0 0 0 0 0 0 0 0 1.751060 2.939550 11.554400 1XA 0 0.15000 0.15000 UNCH H2 14
41 6 1 0 0 0 0 0 0 0 0 0 0 3.100980 4.157640 9.872110 1XA 0 0.00000 0.00000 UNCH H3 15
42 7 1 0 0 0 0 0 0 0 0 0 0 1.735930 1.976650 8.680320 1XA 0 0.40000 0.40000 UNCH H30 16
41 8 1 0 0 0 0 0 0 0 0 0 0 1.962740 4.405860 7.465510 1XA 0 0.00000 0.00000 UNCH H4 17
42 9 1 0 0 0 0 0 0 0 0 0 0 2.722080 6.109830 8.733930 1XA 0 0.40000 0.40000 UNCH H40 18
41 10 1 0 0 0 0 0 0 0 0 0 0 -0.432723 5.245300 7.843530 1XA 0 0.00000 0.00000 UNCH H5 19
41 12 1 0 0 0 0 0 0 0 0 0 0 -1.537540 3.024400 7.637330 1XA 0 0.00000 0.00000 UNCH H61 20
41 12 1 0 0 0 0 0 0 0 0 0 0 -0.150002 3.221680 6.536200 1XA 0 0.00000 0.00000 UNCH H62 21
42 13 1 0 0 0 0 0 0 0 0 0 0 -0.367345 1.194120 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 2.208070 1.689980 4.502010 1XA 0 0.63000 0.63000 UNCH C1 1
25 1 1 3 1 5 1 0 0 0 0 0 0 2.946770 1.701330 3.349170 1XA 0 -0.39450 -0.39450 UNCH N1 2
16 2 1 6 1 0 0 0 0 0 0 0 0 2.285920 1.391370 2.142620 1XA 0 -0.43550 -0.43550 UNCH O1 3
15 1 2 0 0 0 0 0 0 0 0 0 0 1.037150 1.342620 4.586290 1XA 0 -0.57000 -0.57000 UNCH O2 4
43 2 1 0 0 0 0 0 0 0 0 0 0 3.872830 2.120410 3.299180 1XA 0 0.37000 0.37000 UNCH H1 5
42 3 1 0 0 0 0 0 0 0 0 0 0 1.368960 1.198310 2.432830 1XA 0 0.40000 0.40000 UNCH H2 6
2 1 1 8 1 9 2 0 0 0 0 0 0 2.978540 2.180780 5.733120 1XA 0 0.63000 0.63000 UNCH C1B 7
25 7 1 10 1 11 1 0 0 0 0 0 0 2.239840 2.169430 6.885970 1XA 0 -0.39450 -0.39450 UNCH N1B 8
15 7 2 0 0 0 0 0 0 0 0 0 0 4.149460 2.528140 5.648840 1XA 0 -0.57000 -0.57000 UNCH O2B 9
16 8 1 12 1 0 0 0 0 0 0 0 0 2.900690 2.479390 8.092520 1XA 0 -0.43550 -0.43550 UNCH O1B 10
43 8 1 0 0 0 0 0 0 0 0 0 0 1.313780 1.750350 6.935960 1XA 0 0.37000 0.37000 UNCH H1B 11
42 10 1 0 0 0 0 0 0 0 0 0 0 3.817650 2.672450 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 2.401590 20.201500 1XA 0 -0.37100 -0.37100 UNCH S1 1
3 1 1 3 1 6 1 18 1 0 0 0 0 5.005990 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 5.164830 3.440510 17.851400 1XA 0 -0.29810 -0.29810 UNCH N3 3
25 3 1 5 2 0 0 0 0 0 0 0 0 5.855350 2.268810 17.598400 1XA 0 -0.51200 -0.51200 UNCH N4 4
2 1 1 4 2 15 1 0 0 0 0 0 0 6.163670 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 5.763690 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 5.134810 6.079710 20.394100 1XA 0 -0.15000 -0.15000 UNCH C7 7
2 7 1 9 2 20 1 0 0 0 0 0 0 5.813540 7.245580 20.754499 1XA 0 -0.15000 -0.15000 UNCH C8 8
2 8 2 10 1 21 1 0 0 0 0 0 0 7.130560 7.441690 20.346399 1XA 0 -0.15000 -0.15000 UNCH C9 9
2 9 1 11 2 22 1 0 0 0 0 0 0 7.771320 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 7.094870 5.307380 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 4.135720 16.840099 1XA 0 0.56900 0.56900 UNCH C12 12
3 12 1 24 1 25 1 26 1 0 0 0 0 4.778350 3.633190 15.441900 1XA 0 0.06100 0.06100 UNCH C13 13
15 12 2 0 0 0 0 0 0 0 0 0 0 3.772450 5.088130 17.049801 1XA 0 -0.57000 -0.57000 UNCH O14 14
49 5 1 16 2 17 1 0 0 0 0 0 0 7.055630 0.139727 18.848600 1XA 0 0.21050 0.21050 UNCH S15 15
15 15 2 0 0 0 0 0 0 0 0 0 0 8.166540 0.377755 19.831301 1XA 0 -0.50000 -0.50000 UNCH O16 16
3 15 1 27 1 28 1 29 1 0 0 0 0 7.778410 0.167969 17.194201 1XA 0 0.19350 0.19350 UNCH C17 17
41 2 1 0 0 0 0 0 0 0 0 0 0 3.934260 3.952450 19.445299 1XA 0 0.00000 0.00000 UNCH H2 18
41 7 1 0 0 0 0 0 0 0 0 0 0 4.105120 5.951130 20.722300 1XA 0 0.15000 0.15000 UNCH H7 19
41 8 1 0 0 0 0 0 0 0 0 0 0 5.312710 8.002170 21.353300 1XA 0 0.15000 0.15000 UNCH H8 20
41 9 1 0 0 0 0 0 0 0 0 0 0 7.657660 8.349550 20.627800 1XA 0 0.15000 0.15000 UNCH H9 21
41 10 1 0 0 0 0 0 0 0 0 0 0 8.800010 6.625640 19.260500 1XA 0 0.15000 0.15000 UNCH H10 22
41 11 1 0 0 0 0 0 0 0 0 0 0 7.619770 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 4.327370 2.645790 15.312100 1XA 0 0.00000 0.00000 UNCH H131 24
41 13 1 0 0 0 0 0 0 0 0 0 0 5.852990 3.587670 15.244800 1XA 0 0.00000 0.00000 UNCH H132 25
41 13 1 0 0 0 0 0 0 0 0 0 0 4.328360 4.322190 14.721000 1XA 0 0.00000 0.00000 UNCH H133 26
41 17 1 0 0 0 0 0 0 0 0 0 0 8.458820 -0.682288 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 0.073159 16.442499 1XA 0 0.00000 0.00000 UNCH H172 28
41 17 1 0 0 0 0 0 0 0 0 0 0 8.341820 1.092090 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 9.544580 15.706700 4.144950 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 5.498520 1XA 0 0.63710 0.63710 UNCH C2 2
25 2 1 4 1 12 1 0 0 0 0 0 0 10.020100 16.752600 6.484340 1XA 0 -0.29810 -0.29810 UNCH N3 3
25 3 1 5 2 0 0 0 0 0 0 0 0 8.858660 17.376101 6.095060 1XA 0 -0.51200 -0.51200 UNCH N4 4
2 1 1 4 2 15 1 0 0 0 0 0 0 8.505920 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 4.968080 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 4.658210 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 4.137910 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 4.212560 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 4.733490 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 7.786490 1XA 0 0.56900 0.56900 UNCH C12 12
3 12 1 25 1 26 1 27 1 0 0 0 0 9.678190 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 8.181320 1XA 0 -0.57000 -0.57000 UNCH O14 14
49 5 1 16 2 17 1 0 0 0 0 0 0 7.026870 17.704399 4.169220 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 5.974520 16.273001 4.505520 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 4.394810 1XA 0 -0.50000 -0.50000 UNCH O18 18
41 2 1 0 0 0 0 0 0 0 0 0 0 10.971300 14.980400 5.942710 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 4.957510 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 4.040320 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 3.512080 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 4.825150 1XA 0 0.15000 0.15000 UNCH H7 24
41 13 1 0 0 0 0 0 0 0 0 0 0 9.622310 18.733299 8.318190 1XA 0 0.00000 0.00000 UNCH H131 25
41 13 1 0 0 0 0 0 0 0 0 0 0 8.674120 17.300600 8.836920 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 9.692070 1XA 0 0.00000 0.00000 UNCH H133 27
41 17 1 0 0 0 0 0 0 0 0 0 0 4.960450 16.506800 4.172080 1XA 0 0.00000 0.00000 UNCH H171 28
41 17 1 0 0 0 0 0 0 0 0 0 0 6.334020 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 5.960390 16.069201 5.578870 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 1.841040 10.677300 2.152680 1XA 0 0.55000 0.55000 UNCH C1 1
16 1 1 3 1 0 0 0 0 0 0 0 0 1.600740 11.210400 0.846023 1XA 0 -0.56000 -0.56000 UNCH O2 2
3 2 1 4 1 10 1 12 1 0 0 0 0 2.472090 12.316600 0.549522 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 0.640388 1XA 0 -0.54000 -0.54000 UNCH N4 4
3 4 1 6 1 9 1 14 1 0 0 0 0 4.170080 11.326000 1.974290 1XA 0 0.54000 0.54000 UNCH C5 5
3 5 1 7 1 21 1 22 1 0 0 0 0 3.938370 12.436700 3.041890 1XA 0 0.00000 0.00000 UNCH C6 6
3 6 1 8 1 10 1 15 1 0 0 0 0 2.492710 12.953100 2.984180 1XA 0 0.00000 0.00000 UNCH C7 7
3 1 1 7 1 23 1 24 1 0 0 0 0 1.570360 11.755300 3.225290 1XA 0 0.00000 0.00000 UNCH C8 8
26 1 1 5 1 16 1 0 0 0 0 0 0 3.240380 10.185300 2.261320 1XA 0 -0.54000 -0.54000 UNCH N9 9
3 3 1 7 1 25 1 26 1 0 0 0 0 2.212550 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 0.817316 9.549480 2.383410 1XA 0 0.00000 0.00000 UNCH C11 11
3 3 1 30 1 31 1 32 1 0 0 0 0 2.088560 12.833000 -0.846899 1XA 0 0.00000 0.00000 UNCH C31 12
26 4 1 17 1 18 1 0 0 0 0 0 0 4.327310 11.094200 -0.477154 1XA 0 -0.72000 -0.72000 UNCH N41 13
3 5 1 36 1 37 1 38 1 0 0 0 0 5.646060 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 2.256370 14.052600 4.018280 1XA 0 0.00000 0.00000 UNCH C71 15
26 9 1 19 1 20 1 0 0 0 0 0 0 3.465760 9.045140 1.331670 1XA 0 -0.72000 -0.72000 UNCH N91 16
43 13 1 0 0 0 0 0 0 0 0 0 0 5.324340 11.229200 -0.656308 1XA 0 0.36000 0.36000 UNCH H411 17
43 13 1 0 0 0 0 0 0 0 0 0 0 4.252740 10.114000 -0.178683 1XA 0 0.36000 0.36000 UNCH H412 18
43 16 1 0 0 0 0 0 0 0 0 0 0 3.209110 8.173110 1.801640 1XA 0 0.36000 0.36000 UNCH H911 19
43 16 1 0 0 0 0 0 0 0 0 0 0 2.804670 9.127690 0.546543 1XA 0 0.36000 0.36000 UNCH H912 20
41 6 1 0 0 0 0 0 0 0 0 0 0 4.636910 13.269600 2.877720 1XA 0 0.00000 0.00000 UNCH H61 21
41 6 1 0 0 0 0 0 0 0 0 0 0 4.155270 12.046300 4.046390 1XA 0 0.00000 0.00000 UNCH H62 22
41 8 1 0 0 0 0 0 0 0 0 0 0 1.720840 11.345200 4.232950 1XA 0 0.00000 0.00000 UNCH H81 23
41 8 1 0 0 0 0 0 0 0 0 0 0 0.525382 12.089200 3.165670 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 1.330070 1XA 0 0.00000 0.00000 UNCH H101 25
41 10 1 0 0 0 0 0 0 0 0 0 0 1.166130 13.786500 1.494170 1XA 0 0.00000 0.00000 UNCH H102 26
41 11 1 0 0 0 0 0 0 0 0 0 0 0.979011 9.045600 3.342510 1XA 0 0.00000 0.00000 UNCH H111 27
41 11 1 0 0 0 0 0 0 0 0 0 0 0.838541 8.800520 1.584270 1XA 0 0.00000 0.00000 UNCH H112 28
41 11 1 0 0 0 0 0 0 0 0 0 0 -0.203572 9.950560 2.376960 1XA 0 0.00000 0.00000 UNCH H113 29
41 12 1 0 0 0 0 0 0 0 0 0 0 2.728580 13.663200 -1.164590 1XA 0 0.00000 0.00000 UNCH H311 30
41 12 1 0 0 0 0 0 0 0 0 0 0 1.048750 13.181600 -0.855611 1XA 0 0.00000 0.00000 UNCH H312 31
41 12 1 0 0 0 0 0 0 0 0 0 0 2.139020 12.039300 -1.600950 1XA 0 0.00000 0.00000 UNCH H313 32
41 15 1 0 0 0 0 0 0 0 0 0 0 2.916650 14.908700 3.841680 1XA 0 0.00000 0.00000 UNCH H711 33
41 15 1 0 0 0 0 0 0 0 0 0 0 2.446480 13.687700 5.033610 1XA 0 0.00000 0.00000 UNCH H712 34
41 15 1 0 0 0 0 0 0 0 0 0 0 1.223030 14.414600 3.981740 1XA 0 0.00000 0.00000 UNCH H713 35
41 14 1 0 0 0 0 0 0 0 0 0 0 6.325340 11.733200 1.964910 1XA 0 0.00000 0.00000 UNCH H511 36
41 14 1 0 0 0 0 0 0 0 0 0 0 5.937960 10.093400 1.441940 1XA 0 0.00000 0.00000 UNCH H512 37
41 14 1 0 0 0 0 0 0 0 0 0 0 5.835260 10.516700 3.149410 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 9.958640 -2.376630 -0.361806 1XA 0 -0.21470 -0.21470 DUYP O4 1
15 12 2 0 0 0 0 0 0 0 0 0 0 8.730310 1.362770 -2.084980 1XA 0 -0.57000 -0.57000 DUYP O5 2
31 9 2 6 1 5 1 0 0 0 0 0 0 12.121600 -2.922980 0.025664 1XA 0 -0.83340 -0.83340 DUYP N1 3
25 9 1 8 1 7 1 0 0 0 0 0 0 10.822700 -1.609310 1.604330 1XA 0 -0.83340 -0.83340 DUYP N2 4
3 3 1 27 1 26 1 25 1 0 0 0 0 12.045700 -3.662460 -1.263520 1XA 0 0.48950 0.48950 DUYP C2 5
3 3 1 30 1 29 1 28 1 0 0 0 0 13.393100 -3.031830 0.750163 1XA 0 0.48950 0.48950 DUYP C3 6
3 4 1 33 1 32 1 31 1 0 0 0 0 11.850700 -1.280560 2.599430 1XA 0 0.48950 0.48950 DUYP C4 7
3 4 1 36 1 35 1 34 1 0 0 0 0 9.452360 -1.138110 1.946550 1XA 0 0.48950 0.48950 DUYP C5 8
2 1 1 3 2 4 1 0 0 0 0 0 0 11.018100 -2.292270 0.463332 1XA 0 0.84680 0.84680 DUYP C6 9
2 1 1 13 1 11 2 0 0 0 0 0 0 9.626080 -1.345850 -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 -0.210788 -1.386700 1XA 0 -0.13560 -0.13560 DUYP C8 11
2 2 2 11 1 19 1 0 0 0 0 0 0 9.868730 0.930585 -2.216850 1XA 0 0.46940 0.46940 DUYP C9 12
2 10 1 18 1 14 2 0 0 0 0 0 0 8.420250 -1.665370 -2.026720 1XA 0 0.02840 0.02840 DUYP C10 13
2 13 2 38 1 15 1 0 0 0 0 0 0 8.497830 -1.825070 -3.418450 1XA 0 -0.15000 -0.15000 DUYP C11 14
2 14 1 39 1 16 2 0 0 0 0 0 0 7.360850 -2.160700 -4.156590 1XA 0 -0.15000 -0.15000 DUYP C12 15
2 15 2 40 1 17 1 0 0 0 0 0 0 6.140000 -2.345990 -3.511730 1XA 0 -0.15000 -0.15000 DUYP C13 16
2 16 1 41 1 18 2 0 0 0 0 0 0 6.052980 -2.195870 -2.129320 1XA 0 -0.15000 -0.15000 DUYP C14 17
2 13 1 17 2 42 1 0 0 0 0 0 0 7.188390 -1.859920 -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 1.586530 -3.124130 1XA 0 0.08620 0.08620 DUYP C16 19
2 19 2 43 1 21 1 0 0 0 0 0 0 10.530100 2.851240 -3.635830 1XA 0 -0.15000 -0.15000 DUYP C17 20
2 20 1 44 1 22 2 0 0 0 0 0 0 11.413700 3.507920 -4.493710 1XA 0 -0.15000 -0.15000 DUYP C18 21
2 21 2 45 1 23 1 0 0 0 0 0 0 12.616900 2.902660 -4.850890 1XA 0 -0.15000 -0.15000 DUYP C19 22
2 22 1 46 1 24 2 0 0 0 0 0 0 12.937100 1.638910 -4.356370 1XA 0 -0.15000 -0.15000 DUYP C20 23
2 19 1 23 2 47 1 0 0 0 0 0 0 12.056100 0.977572 -3.496260 1XA 0 -0.15000 -0.15000 DUYP C21 24
41 5 1 0 0 0 0 0 0 0 0 0 0 11.963500 -2.946560 -2.086120 1XA 0 0.00000 0.00000 DUYP H22 25
41 5 1 0 0 0 0 0 0 0 0 0 0 11.186200 -4.339890 -1.253540 1XA 0 0.00000 0.00000 DUYP H23 26
41 5 1 0 0 0 0 0 0 0 0 0 0 12.943900 -4.266050 -1.422570 1XA 0 0.00000 0.00000 DUYP H24 27
41 6 1 0 0 0 0 0 0 0 0 0 0 13.871300 -2.051610 0.803030 1XA 0 0.00000 0.00000 DUYP H31 28
41 6 1 0 0 0 0 0 0 0 0 0 0 14.085100 -3.703570 0.232902 1XA 0 0.00000 0.00000 DUYP H32 29
41 6 1 0 0 0 0 0 0 0 0 0 0 13.221300 -3.450870 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 -2.179650 3.151280 1XA 0 0.00000 0.00000 DUYP H41 31
41 7 1 0 0 0 0 0 0 0 0 0 0 11.470000 -0.546522 3.317420 1XA 0 0.00000 0.00000 DUYP H42 32
41 7 1 0 0 0 0 0 0 0 0 0 0 12.710600 -0.819884 2.110050 1XA 0 0.00000 0.00000 DUYP H43 33
41 8 1 0 0 0 0 0 0 0 0 0 0 9.358580 -1.012380 3.029980 1XA 0 0.00000 0.00000 DUYP H51 34
41 8 1 0 0 0 0 0 0 0 0 0 0 9.267620 -0.177686 1.459040 1XA 0 0.00000 0.00000 DUYP H52 35
41 8 1 0 0 0 0 0 0 0 0 0 0 8.705570 -1.878610 1.646320 1XA 0 0.00000 0.00000 DUYP H53 36
41 11 1 0 0 0 0 0 0 0 0 0 0 11.255800 -0.023994 -0.845466 1XA 0 0.15000 0.15000 DUYP H8 37
41 14 1 0 0 0 0 0 0 0 0 0 0 9.437130 -1.685370 -3.947030 1XA 0 0.15000 0.15000 DUYP H11 38
41 15 1 0 0 0 0 0 0 0 0 0 0 7.423660 -2.270830 -5.236700 1XA 0 0.15000 0.15000 DUYP H12 39
41 16 1 0 0 0 0 0 0 0 0 0 0 5.253110 -2.599170 -4.088280 1XA 0 0.15000 0.15000 DUYP H13 40
41 17 1 0 0 0 0 0 0 0 0 0 0 5.096220 -2.331750 -1.630550 1XA 0 0.15000 0.15000 DUYP H14 41
41 18 1 0 0 0 0 0 0 0 0 0 0 7.091320 -1.736860 -0.314132 1XA 0 0.15000 0.15000 DUYP H15 42
41 20 1 0 0 0 0 0 0 0 0 0 0 9.589480 3.332390 -3.371230 1XA 0 0.15000 0.15000 DUYP H17 43
41 21 1 0 0 0 0 0 0 0 0 0 0 11.159400 4.489740 -4.887520 1XA 0 0.15000 0.15000 DUYP H18 44
41 22 1 0 0 0 0 0 0 0 0 0 0 13.301300 3.414970 -5.524070 1XA 0 0.15000 0.15000 DUYP H19 45
41 23 1 0 0 0 0 0 0 0 0 0 0 13.872300 1.168690 -4.652260 1XA 0 0.15000 0.15000 DUYP H20 46
41 24 1 0 0 0 0 0 0 0 0 0 0 12.326600 -0.013936 -3.149370 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 0.481408 -0.120130 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 1.921780 10.502000 1XA 0 -0.22280 -0.22280 UNCH P2 2
26 1 1 4 1 5 1 0 0 0 0 0 0 2.077610 -0.388329 11.739800 1XA 0 -0.47100 -0.47100 UNCH N1 3
43 3 1 0 0 0 0 0 0 0 0 0 0 2.470780 -1.224030 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 0.703308 11.602600 1XA 0 -0.47100 -0.47100 UNCH N2 5
43 5 1 0 0 0 0 0 0 0 0 0 0 3.201690 1.094070 12.525200 1XA 0 0.36000 0.36000 UNCH H2 6
3 1 1 2 1 16 1 17 1 0 0 0 0 0.800169 1.434490 10.292200 1XA 0 0.33380 0.33380 UNCH C1 7
3 1 1 9 1 10 1 11 1 0 0 0 0 -0.339940 0.449954 12.832100 1XA 0 0.16690 0.16690 UNCH C2 8
3 8 1 18 1 19 1 20 1 0 0 0 0 -0.429218 -0.760367 13.787400 1XA 0 0.00000 0.00000 UNCH C3 9
3 8 1 21 1 22 1 23 1 0 0 0 0 0.376221 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 0.897016 12.497900 1XA 0 0.00000 0.00000 UNCH C5 11
3 2 1 13 1 14 1 15 1 0 0 0 0 3.416110 1.332140 8.926040 1XA 0 0.16690 0.16690 UNCH C6 12
3 12 1 27 1 28 1 29 1 0 0 0 0 3.115020 -0.118884 8.528480 1XA 0 0.00000 0.00000 UNCH C7 13
3 12 1 30 1 31 1 32 1 0 0 0 0 2.984600 2.262880 7.772420 1XA 0 0.00000 0.00000 UNCH C8 14
3 12 1 33 1 34 1 35 1 0 0 0 0 4.941610 1.484750 9.112960 1XA 0 0.00000 0.00000 UNCH C9 15
41 7 1 0 0 0 0 0 0 0 0 0 0 0.157058 2.247580 10.638500 1XA 0 0.00000 0.00000 UNCH H11 16
41 7 1 0 0 0 0 0 0 0 0 0 0 0.554406 1.276000 9.239110 1XA 0 0.00000 0.00000 UNCH H12 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.964392 -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 -0.964146 -0.494764 14.707000 1XA 0 0.00000 0.00000 UNCH H32 19
41 9 1 0 0 0 0 0 0 0 0 0 0 0.563292 -1.120430 14.082900 1XA 0 0.00000 0.00000 UNCH H33 20
41 10 1 0 0 0 0 0 0 0 0 0 0 0.466080 2.492450 12.939900 1XA 0 0.00000 0.00000 UNCH H41 21
41 10 1 0 0 0 0 0 0 0 0 0 0 1.378630 1.310030 13.894100 1XA 0 0.00000 0.00000 UNCH H42 22
41 10 1 0 0 0 0 0 0 0 0 0 0 -0.179651 1.888580 14.458900 1XA 0 0.00000 0.00000 UNCH H43 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -1.794070 1.771830 11.838200 1XA 0 0.00000 0.00000 UNCH H51 24
41 11 1 0 0 0 0 0 0 0 0 0 0 -2.325810 1.170210 13.408500 1XA 0 0.00000 0.00000 UNCH H52 25
41 11 1 0 0 0 0 0 0 0 0 0 0 -2.349280 0.100808 12.003700 1XA 0 0.00000 0.00000 UNCH H53 26
41 13 1 0 0 0 0 0 0 0 0 0 0 2.046840 -0.295548 8.370350 1XA 0 0.00000 0.00000 UNCH H71 27
41 13 1 0 0 0 0 0 0 0 0 0 0 3.472120 -0.834829 9.275370 1XA 0 0.00000 0.00000 UNCH H72 28
41 13 1 0 0 0 0 0 0 0 0 0 0 3.618680 -0.373715 7.587780 1XA 0 0.00000 0.00000 UNCH H73 29
41 14 1 0 0 0 0 0 0 0 0 0 0 3.208240 3.314150 7.991170 1XA 0 0.00000 0.00000 UNCH H81 30
41 14 1 0 0 0 0 0 0 0 0 0 0 1.910870 2.189690 7.566440 1XA 0 0.00000 0.00000 UNCH H82 31
41 14 1 0 0 0 0 0 0 0 0 0 0 3.509470 2.005630 6.844610 1XA 0 0.00000 0.00000 UNCH H83 32
41 15 1 0 0 0 0 0 0 0 0 0 0 5.220720 2.514870 9.365800 1XA 0 0.00000 0.00000 UNCH H91 33
41 15 1 0 0 0 0 0 0 0 0 0 0 5.477310 1.218580 8.193920 1XA 0 0.00000 0.00000 UNCH H92 34
41 15 1 0 0 0 0 0 0 0 0 0 0 5.321810 0.833881 9.909110 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 6.663510 2.223370 1.727390 1XA 0 -0.23180 -0.23180 UNCH P1 1
15 5 2 0 0 0 0 0 0 0 0 0 0 6.439370 0.290656 4.096810 1XA 0 -0.57000 -0.57000 UNCH O1 2
25 1 1 4 1 5 1 0 0 0 0 0 0 5.776220 2.357450 3.239870 1XA 0 -0.10000 -0.10000 UNCH N1 3
25 3 1 7 2 0 0 0 0 0 0 0 0 4.993750 3.490090 3.413410 1XA 0 -0.51200 -0.51200 UNCH N2 4
2 2 2 3 1 6 1 0 0 0 0 0 0 5.828110 1.355290 4.210930 1XA 0 0.56900 0.56900 UNCH C1 5
3 5 1 15 1 16 1 17 1 0 0 0 0 5.036950 1.651620 5.462300 1XA 0 0.06100 0.06100 UNCH C2 6
2 4 2 8 1 9 1 0 0 0 0 0 0 4.965460 4.243040 2.348070 1XA 0 0.32800 0.32800 UNCH C3 7
3 7 1 18 1 19 1 20 1 0 0 0 0 4.186380 5.522320 2.329100 1XA 0 0.06100 0.06100 UNCH C4 8
3 1 1 7 1 10 1 21 1 0 0 0 0 5.699980 3.801720 1.086580 1XA 0 0.22790 0.22790 UNCH C5 9
3 9 1 11 1 14 1 22 1 0 0 0 0 4.770630 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 4.232820 1.885600 0.541817 1XA 0 0.00000 0.00000 UNCH C7 11
3 1 1 11 1 13 1 25 1 0 0 0 0 5.570630 1.149580 0.644564 1XA 0 0.30510 0.30510 UNCH C8 12
2 12 1 14 2 26 1 0 0 0 0 0 0 6.147030 1.508610 -0.706695 1XA 0 -0.28820 -0.28820 UNCH C9 13
2 10 1 13 2 27 1 0 0 0 0 0 0 5.634270 2.680000 -1.126880 1XA 0 -0.28820 -0.28820 UNCH C10 14
41 6 1 0 0 0 0 0 0 0 0 0 0 3.971620 1.719040 5.225700 1XA 0 0.00000 0.00000 UNCH H21 15
41 6 1 0 0 0 0 0 0 0 0 0 0 5.181540 0.841440 6.183360 1XA 0 0.00000 0.00000 UNCH H22 16
41 6 1 0 0 0 0 0 0 0 0 0 0 5.384980 2.581840 5.919700 1XA 0 0.00000 0.00000 UNCH H23 17
41 8 1 0 0 0 0 0 0 0 0 0 0 3.333010 5.417330 1.654440 1XA 0 0.00000 0.00000 UNCH H41 18
41 8 1 0 0 0 0 0 0 0 0 0 0 3.823120 5.764110 3.331420 1XA 0 0.00000 0.00000 UNCH H42 19
41 8 1 0 0 0 0 0 0 0 0 0 0 4.827810 6.333280 1.974630 1XA 0 0.00000 0.00000 UNCH H43 20
41 9 1 0 0 0 0 0 0 0 0 0 0 6.401610 4.564040 0.738059 1XA 0 0.00000 0.00000 UNCH H5 21
41 10 1 0 0 0 0 0 0 0 0 0 0 3.980450 3.893390 -0.343579 1XA 0 0.00000 0.00000 UNCH H6 22
41 11 1 0 0 0 0 0 0 0 0 0 0 3.696360 1.980650 1.490820 1XA 0 0.00000 0.00000 UNCH H71 23
41 11 1 0 0 0 0 0 0 0 0 0 0 3.554180 1.396720 -0.171135 1XA 0 0.00000 0.00000 UNCH H72 24
41 12 1 0 0 0 0 0 0 0 0 0 0 5.513740 0.084556 0.867438 1XA 0 0.00000 0.00000 UNCH H8 25
41 13 1 0 0 0 0 0 0 0 0 0 0 6.851760 0.894610 -1.250860 1XA 0 0.15000 0.15000 UNCH H9 26
41 14 1 0 0 0 0 0 0 0 0 0 0 5.875920 3.191910 -2.046610 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 2.866880 4.874840 6.744540 1XA 0 0.52020 0.52020 UNCH C1 1
31 1 1 3 1 4 2 0 0 0 0 0 0 2.048100 5.974950 7.389610 1XA 0 0.79980 0.79980 UNCH N1 2
18 2 1 0 0 0 0 0 0 0 0 0 0 0.828514 5.999860 7.169540 1XA 0 -0.52000 -0.52000 UNCH O10 3
15 2 2 0 0 0 0 0 0 0 0 0 0 2.654300 6.744390 8.147970 1XA 0 -0.52000 -0.52000 UNCH O20 4
3 1 1 6 1 7 1 13 1 0 0 0 0 2.500970 3.554970 7.411330 1XA 0 0.28000 0.28000 UNCH C2 5
16 5 1 14 1 0 0 0 0 0 0 0 0 3.618850 2.639460 7.426080 1XA 0 -0.68000 -0.68000 UNCH O2 6
3 5 1 8 1 9 1 15 1 0 0 0 0 1.455230 2.995920 6.455900 1XA 0 0.28000 0.28000 UNCH C3 7
16 7 1 16 1 0 0 0 0 0 0 0 0 1.365610 1.580170 6.539030 1XA 0 -0.68000 -0.68000 UNCH O3 8
3 7 1 10 1 11 1 17 1 0 0 0 0 1.970920 3.479550 5.104120 1XA 0 0.28000 0.28000 UNCH C4 9
16 1 1 9 1 0 0 0 0 0 0 0 0 2.532600 4.790920 5.341440 1XA 0 -0.56000 -0.56000 UNCH O4 10
3 9 1 18 1 19 1 21 1 0 0 0 0 0.867256 3.551830 4.049560 1XA 0 0.28000 0.28000 UNCH C5 11
41 1 1 0 0 0 0 0 0 0 0 0 0 3.923610 5.142060 6.844140 1XA 0 0.00000 0.00000 UNCH H1 12
41 5 1 0 0 0 0 0 0 0 0 0 0 2.135270 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 0.469378 3.421630 6.672500 1XA 0 0.00000 0.00000 UNCH H3 15
42 8 1 0 0 0 0 0 0 0 0 0 0 2.278190 1.265940 6.711250 1XA 0 0.40000 0.40000 UNCH H30 16
41 9 1 0 0 0 0 0 0 0 0 0 0 2.782830 2.839850 4.735160 1XA 0 0.00000 0.00000 UNCH H4 17
41 11 1 0 0 0 0 0 0 0 0 0 0 0.171166 4.367210 4.272180 1XA 0 0.00000 0.00000 UNCH H51 18
41 11 1 0 0 0 0 0 0 0 0 0 0 0.318237 2.607210 3.989790 1XA 0 0.00000 0.00000 UNCH H52 19
42 21 1 0 0 0 0 0 0 0 0 0 0 0.701542 3.953240 2.150770 1XA 0 0.40000 0.40000 UNCH H50 20
16 11 1 20 1 0 0 0 0 0 0 0 0 1.439570 3.806950 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 6.034430 1.955180 7.868410 1XA 0 0.16000 0.16000 UNCH C11 1
16 1 1 3 1 0 0 0 0 0 0 0 0 6.019780 0.822860 8.645030 1XA 0 -0.28000 -0.28000 UNCH O21 2
2 2 1 4 2 15 1 0 0 0 0 0 0 6.091600 -0.259102 7.806710 1XA 0 -0.01000 -0.01000 UNCH C31 3
2 3 2 5 1 9 1 0 0 0 0 0 0 6.151620 0.172595 6.508500 1XA 0 0.00000 0.00000 UNCH C311 4
2 4 1 6 2 16 1 0 0 0 0 0 0 6.232770 -0.617171 5.367660 1XA 0 -0.15000 -0.15000 UNCH C41 5
2 5 2 7 1 12 1 0 0 0 0 0 0 6.272520 0.232736 4.255410 1XA 0 0.08250 0.08250 UNCH C51 6
2 6 1 8 2 13 1 0 0 0 0 0 0 6.236410 1.650410 4.285860 1XA 0 0.08250 0.08250 UNCH C61 7
2 7 2 9 1 17 1 0 0 0 0 0 0 6.154670 2.449520 5.433400 1XA 0 -0.15000 -0.15000 UNCH C71 8
2 1 2 4 1 8 1 0 0 0 0 0 0 6.114780 1.608730 6.544010 1XA 0 0.00000 0.00000 UNCH C711 9
1 1 1 11 3 0 0 0 0 0 0 0 0 5.967800 3.204320 8.536290 1XA 0 0.53710 0.53710 UNCH C81 10
24 10 3 0 0 0 0 0 0 0 0 0 0 5.914090 4.237970 9.062740 1XA 0 -0.55710 -0.55710 UNCH N91 11
16 6 1 14 1 0 0 0 0 0 0 0 0 6.353670 -0.235850 2.971020 1XA 0 -0.36250 -0.36250 UNCH O101 12
16 7 1 14 1 0 0 0 0 0 0 0 0 6.292200 2.177180 3.022970 1XA 0 -0.36250 -0.36250 UNCH O111 13
3 12 1 13 1 18 1 19 1 0 0 0 0 6.365080 0.988686 2.212880 1XA 0 0.56000 0.56000 UNCH C121 14
41 3 1 0 0 0 0 0 0 0 0 0 0 6.088710 -1.225440 8.292330 1XA 0 0.15000 0.15000 UNCH H31 15
41 5 1 0 0 0 0 0 0 0 0 0 0 6.261770 -1.693920 5.315520 1XA 0 0.15000 0.15000 UNCH H41 16
41 8 1 0 0 0 0 0 0 0 0 0 0 6.129070 3.528400 5.421970 1XA 0 0.15000 0.15000 UNCH H71 17
41 14 1 0 0 0 0 0 0 0 0 0 0 5.511220 0.981707 1.525850 1XA 0 0.00000 0.00000 UNCH H211 18
41 14 1 0 0 0 0 0 0 0 0 0 0 7.287630 1.024880 1.622330 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 -1.971280 2.364180 -0.277485 1XA 0 -0.52000 -0.52000 FADM N1 1
25 1 1 12 1 3 1 0 0 0 0 0 0 -1.046700 1.318150 0.034724 1XA 0 -0.41000 -0.41000 FADM N2 2
2 2 1 10 2 4 1 0 0 0 0 0 0 -0.169831 1.687620 1.044200 1XA 0 0.54380 0.54380 FADM C3 3
2 3 1 9 2 5 1 0 0 0 0 0 0 -0.670864 2.948340 1.575510 1XA 0 0.08620 0.08620 FADM C31 4
2 4 1 13 1 6 2 0 0 0 0 0 0 -0.241388 3.715500 2.639990 1XA 0 -0.15000 -0.15000 FADM C4 5
2 5 2 14 1 7 1 0 0 0 0 0 0 -0.950006 4.889670 2.897110 1XA 0 -0.15000 -0.15000 FADM C5 6
2 6 1 15 1 8 2 0 0 0 0 0 0 -2.045530 5.256600 2.090480 1XA 0 -0.15000 -0.15000 FADM C6 7
2 7 2 16 1 9 1 0 0 0 0 0 0 -2.450590 4.456400 1.012960 1XA 0 -0.15000 -0.15000 FADM C7 8
2 1 1 4 2 8 1 0 0 0 0 0 0 -1.749510 3.292270 0.766471 1XA 0 0.10000 0.10000 FADM C71 9
15 3 2 0 0 0 0 0 0 0 0 0 0 0.836497 1.110010 1.405790 1XA 0 -0.57000 -0.57000 FADM O9 10
43 1 1 0 0 0 0 0 0 0 0 0 0 -2.941870 2.042220 -0.251238 1XA 0 0.40000 0.40000 FADM H1 11
43 2 1 0 0 0 0 0 0 0 0 0 0 -0.704362 0.729902 -0.718175 1XA 0 0.37000 0.37000 FADM H2 12
41 5 1 0 0 0 0 0 0 0 0 0 0 0.607010 3.412400 3.243050 1XA 0 0.15000 0.15000 FADM H4 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -0.652540 5.530480 3.724540 1XA 0 0.15000 0.15000 FADM H5 14
41 7 1 0 0 0 0 0 0 0 0 0 0 -2.579820 6.180460 2.303960 1XA 0 0.15000 0.15000 FADM H6 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -3.283890 4.755210 0.386301 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 8.341610 2.032970 2.315780 1XA 0 1.33280 1.33280 UNCH S1 1
49 6 1 7 2 8 2 14 1 0 0 0 0 11.244400 1.139410 0.568915 1XA 0 1.37850 1.37850 UNCH S2 2
49 9 2 10 2 11 1 13 1 0 0 0 0 9.354470 4.353150 0.844570 1XA 0 1.33280 1.33280 UNCH S3 3
15 1 2 0 0 0 0 0 0 0 0 0 0 8.262330 2.876330 3.490210 1XA 0 -0.65000 -0.65000 UNCH O1 4
15 1 2 0 0 0 0 0 0 0 0 0 0 8.722320 0.642378 2.459490 1XA 0 -0.65000 -0.65000 UNCH O2 5
16 2 1 11 1 0 0 0 0 0 0 0 0 10.715700 2.361380 1.537160 1XA 0 -0.10070 -0.10070 UNCH O3 6
15 2 2 0 0 0 0 0 0 0 0 0 0 11.859900 0.126115 1.400280 1XA 0 -0.65000 -0.65000 UNCH O4 7
15 2 2 0 0 0 0 0 0 0 0 0 0 10.236600 0.814105 -0.422309 1XA 0 -0.65000 -0.65000 UNCH O5 8
15 3 2 0 0 0 0 0 0 0 0 0 0 10.481100 4.591580 -0.040782 1XA 0 -0.65000 -0.65000 UNCH O6 9
15 3 2 0 0 0 0 0 0 0 0 0 0 8.021250 4.734220 0.428438 1XA 0 -0.65000 -0.65000 UNCH O7 10
25 1 1 3 1 6 1 0 0 0 0 0 0 9.358030 2.740480 1.211250 1XA 0 -0.35900 -0.35900 UNCH N1 11
3 1 1 15 1 16 1 17 1 0 0 0 0 6.767420 2.065800 1.485030 1XA 0 0.10520 0.10520 UNCH C1 12
3 3 1 18 1 19 1 20 1 0 0 0 0 9.720070 5.192200 2.377120 1XA 0 0.10520 0.10520 UNCH C2 13
3 2 1 21 1 22 1 23 1 0 0 0 0 12.551100 2.029480 -0.240292 1XA 0 0.10520 0.10520 UNCH C3 14
41 12 1 0 0 0 0 0 0 0 0 0 0 6.881360 1.628710 0.491387 1XA 0 0.00000 0.00000 UNCH H1 15
41 12 1 0 0 0 0 0 0 0 0 0 0 6.070760 1.462320 2.071980 1XA 0 0.00000 0.00000 UNCH H2 16
41 12 1 0 0 0 0 0 0 0 0 0 0 6.397820 3.089210 1.432330 1XA 0 0.00000 0.00000 UNCH H3 17
41 13 1 0 0 0 0 0 0 0 0 0 0 10.577100 4.718130 2.857510 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 2.129460 1XA 0 0.00000 0.00000 UNCH H5 19
41 13 1 0 0 0 0 0 0 0 0 0 0 8.841130 5.192110 3.020360 1XA 0 0.00000 0.00000 UNCH H6 20
41 14 1 0 0 0 0 0 0 0 0 0 0 12.122900 2.798910 -0.881919 1XA 0 0.00000 0.00000 UNCH H7 21
41 14 1 0 0 0 0 0 0 0 0 0 0 13.113800 1.318520 -0.849558 1XA 0 0.00000 0.00000 UNCH H8 22
41 14 1 0 0 0 0 0 0 0 0 0 0 13.204900 2.466390 0.516698 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 3.643030 9.336410 15.966800 1XA 0 1.02910 1.02910 FADV S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 2.501830 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 3.632570 7.947230 15.296100 1XA 0 -0.98950 -0.98950 FADV N1 3
3 1 1 15 1 14 1 13 1 0 0 0 0 5.052490 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 4.063580 9.082150 17.687099 1XA 0 0.10520 0.10520 FADV C2 5
3 5 1 19 1 18 1 7 1 0 0 0 0 3.822940 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 4.701420 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 4.103290 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 6.161060 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 6.667620 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 6.556480 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 2.804190 7.410850 15.558800 1XA 0 0.40000 0.40000 FADV H1 12
41 4 1 0 0 0 0 0 0 0 0 0 0 5.948850 9.611330 15.464000 1XA 0 0.00000 0.00000 FADV H2 13
41 4 1 0 0 0 0 0 0 0 0 0 0 5.148760 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 4.882380 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 5.094570 8.721050 17.713800 1XA 0 0.00000 0.00000 FADV H5 16
41 5 1 0 0 0 0 0 0 0 0 0 0 3.424170 8.271650 18.055300 1XA 0 0.00000 0.00000 FADV H6 17
41 6 1 0 0 0 0 0 0 0 0 0 0 4.005850 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 2.761870 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 4.734490 9.395090 20.283100 1XA 0 0.00000 0.00000 FADV H9 20
44 8 1 0 0 0 0 0 0 0 0 0 0 4.980830 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 3.515020 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 3.686420 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 5.026430 6.195470 7.599370 1XA 0 1.13400 1.13400 FAGB P1 1
18 1 1 0 0 0 0 0 0 0 0 0 0 4.142730 5.446200 8.580120 1XA 0 -0.95000 -0.95000 FAGB O1 2
31 7 1 6 1 5 2 0 0 0 0 0 0 5.451100 8.187610 9.596260 1XA 0 -0.83340 -0.83340 FAGB N1 3
25 9 1 8 1 5 1 0 0 0 0 0 0 7.458170 7.274660 8.585100 1XA 0 -0.83340 -0.83340 FAGB N2 4
2 1 1 3 2 4 1 0 0 0 0 0 0 6.094690 7.365330 8.706960 1XA 0 0.59180 0.59180 FAGB C1 5
3 3 1 12 1 11 1 10 1 0 0 0 0 3.979240 8.111070 9.746640 1XA 0 0.48950 0.48950 FAGB C2 6
3 3 1 15 1 14 1 13 1 0 0 0 0 6.119370 8.927150 10.680400 1XA 0 0.48950 0.48950 FAGB C3 7
3 4 1 18 1 17 1 16 1 0 0 0 0 8.060580 6.053300 7.975690 1XA 0 0.48950 0.48950 FAGB C4 8
3 4 1 21 1 20 1 19 1 0 0 0 0 8.449010 8.255730 9.043730 1XA 0 0.48950 0.48950 FAGB C5 9
41 6 1 0 0 0 0 0 0 0 0 0 0 3.618300 8.951190 10.349800 1XA 0 0.00000 0.00000 FAGB H21 10
41 6 1 0 0 0 0 0 0 0 0 0 0 3.705690 7.184930 10.255700 1XA 0 0.00000 0.00000 FAGB H22 11
41 6 1 0 0 0 0 0 0 0 0 0 0 3.494120 8.210540 8.781650 1XA 0 0.00000 0.00000 FAGB H23 12
41 7 1 0 0 0 0 0 0 0 0 0 0 5.406770 9.189620 11.469600 1XA 0 0.00000 0.00000 FAGB H31 13
41 7 1 0 0 0 0 0 0 0 0 0 0 6.537550 9.857120 10.290500 1XA 0 0.00000 0.00000 FAGB H32 14
41 7 1 0 0 0 0 0 0 0 0 0 0 6.878630 8.300010 11.151300 1XA 0 0.00000 0.00000 FAGB H33 15
41 8 1 0 0 0 0 0 0 0 0 0 0 9.080250 5.928120 8.358340 1XA 0 0.00000 0.00000 FAGB H41 16
41 8 1 0 0 0 0 0 0 0 0 0 0 8.127140 6.175760 6.892850 1XA 0 0.00000 0.00000 FAGB H42 17
41 8 1 0 0 0 0 0 0 0 0 0 0 7.513530 5.161840 8.291610 1XA 0 0.00000 0.00000 FAGB H43 18
41 9 1 0 0 0 0 0 0 0 0 0 0 8.063090 9.269160 8.920670 1XA 0 0.00000 0.00000 FAGB H51 19
41 9 1 0 0 0 0 0 0 0 0 0 0 9.347770 8.192430 8.420140 1XA 0 0.00000 0.00000 FAGB H52 20
41 9 1 0 0 0 0 0 0 0 0 0 0 8.733700 8.049370 10.077500 1XA 0 0.00000 0.00000 FAGB H53 21
15 1 2 0 0 0 0 0 0 0 0 0 0 5.910170 5.446560 6.618390 1XA 0 -0.95000 -0.95000 FAGB O1A 22
2 1 1 25 1 24 2 0 0 0 0 0 0 3.958090 7.365610 6.492150 1XA 0 0.59180 0.59180 FAGB C1A 23
31 23 2 27 1 26 1 0 0 0 0 0 0 4.601630 8.188210 5.603110 1XA 0 -0.83340 -0.83340 FAGB N1A 24
25 23 1 29 1 28 1 0 0 0 0 0 0 2.594610 7.274820 6.613980 1XA 0 -0.83340 -0.83340 FAGB N2A 25
3 24 1 32 1 31 1 30 1 0 0 0 0 6.073490 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 3.933310 8.928040 4.519220 1XA 0 0.48950 0.48950 FAGB C3A 27
3 25 1 38 1 37 1 36 1 0 0 0 0 1.992280 6.053230 7.223010 1XA 0 0.48950 0.48950 FAGB C4A 28
3 25 1 41 1 40 1 39 1 0 0 0 0 1.603710 8.255970 6.155660 1XA 0 0.48950 0.48950 FAGB C5A 29
41 26 1 0 0 0 0 0 0 0 0 0 0 6.434380 8.952140 4.849820 1XA 0 0.00000 0.00000 FAGB H21A 30
41 26 1 0 0 0 0 0 0 0 0 0 0 6.347100 7.185850 4.943390 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 6.417730 1XA 0 0.00000 0.00000 FAGB H23A 32
41 27 1 0 0 0 0 0 0 0 0 0 0 4.645890 9.190810 3.730060 1XA 0 0.00000 0.00000 FAGB H31A 33
41 27 1 0 0 0 0 0 0 0 0 0 0 3.515070 9.857870 4.909370 1XA 0 0.00000 0.00000 FAGB H32A 34
41 27 1 0 0 0 0 0 0 0 0 0 0 3.174080 8.301000 4.048060 1XA 0 0.00000 0.00000 FAGB H33A 35
41 28 1 0 0 0 0 0 0 0 0 0 0 0.972622 5.928100 6.840320 1XA 0 0.00000 0.00000 FAGB H41A 36
41 28 1 0 0 0 0 0 0 0 0 0 0 1.925710 6.175350 8.305890 1XA 0 0.00000 0.00000 FAGB H42A 37
41 28 1 0 0 0 0 0 0 0 0 0 0 2.539390 5.161900 6.906810 1XA 0 0.00000 0.00000 FAGB H43A 38
41 29 1 0 0 0 0 0 0 0 0 0 0 1.989570 9.269380 6.279030 1XA 0 0.00000 0.00000 FAGB H51A 39
41 29 1 0 0 0 0 0 0 0 0 0 0 0.704961 8.192410 6.779230 1XA 0 0.00000 0.00000 FAGB H52A 40
41 29 1 0 0 0 0 0 0 0 0 0 0 1.319030 8.049920 5.121840 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 1.688120 1XA 0 1.33280 1.33280 UNCH S1 1
15 6 2 0 0 0 0 0 0 0 0 0 0 3.410250 2.997360 4.220330 1XA 0 -0.57000 -0.57000 UNCH O1 2
15 1 2 0 0 0 0 0 0 0 0 0 0 1.889930 5.191600 2.242920 1XA 0 -0.65000 -0.65000 UNCH O2 3
15 1 2 0 0 0 0 0 0 0 0 0 0 3.774820 5.694530 0.658035 1XA 0 -0.65000 -0.65000 UNCH O3 4
25 1 1 6 1 8 1 0 0 0 0 0 0 4.277900 4.782720 2.943470 1XA 0 -0.68130 -0.68130 UNCH N1 5
2 2 2 5 1 7 1 0 0 0 0 0 0 4.018880 4.033640 4.098820 1XA 0 0.75330 0.75330 UNCH C2 6
3 6 1 8 1 16 1 17 1 0 0 0 0 4.761190 5.048470 4.995440 1XA 0 0.05300 0.05300 UNCH C3 7
3 5 1 7 1 9 1 18 1 0 0 0 0 4.782610 5.947620 3.733880 1XA 0 0.41500 0.41500 UNCH C4 8
2 8 1 10 2 14 1 0 0 0 0 0 0 6.183750 6.575830 3.331690 1XA 0 -0.10800 -0.10800 UNCH C5 9
2 9 2 11 1 19 1 0 0 0 0 0 0 6.837690 7.489700 4.186610 1XA 0 -0.15000 -0.15000 UNCH C6 10
2 10 1 12 2 20 1 0 0 0 0 0 0 8.074890 8.057170 3.866620 1XA 0 -0.15000 -0.15000 UNCH C7 11
2 11 2 13 1 21 1 0 0 0 0 0 0 8.699780 7.728850 2.669790 1XA 0 -0.15000 -0.15000 UNCH C8 12
2 12 1 14 2 22 1 0 0 0 0 0 0 8.085610 6.838460 1.797150 1XA 0 -0.15000 -0.15000 UNCH C9 13
2 9 1 13 2 23 1 0 0 0 0 0 0 6.848670 6.274690 2.126320 1XA 0 -0.15000 -0.15000 UNCH C10 14
3 1 1 24 1 25 1 26 1 0 0 0 0 3.155430 3.191490 1.074330 1XA 0 0.10520 0.10520 UNCH C12 15
41 7 1 0 0 0 0 0 0 0 0 0 0 5.727180 4.680190 5.351600 1XA 0 0.00000 0.00000 UNCH H31 16
41 7 1 0 0 0 0 0 0 0 0 0 0 4.168630 5.430810 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 6.729630 3.785620 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 5.128110 1XA 0 0.15000 0.15000 UNCH H6 19
41 11 1 0 0 0 0 0 0 0 0 0 0 8.545510 8.758360 4.551050 1XA 0 0.15000 0.15000 UNCH H7 20
41 12 1 0 0 0 0 0 0 0 0 0 0 9.659000 8.170430 2.413570 1XA 0 0.15000 0.15000 UNCH H8 21
41 13 1 0 0 0 0 0 0 0 0 0 0 8.561600 6.583730 0.853517 1XA 0 0.15000 0.15000 UNCH H9 22
41 14 1 0 0 0 0 0 0 0 0 0 0 6.390350 5.590710 1.413920 1XA 0 0.15000 0.15000 UNCH H10 23
41 15 1 0 0 0 0 0 0 0 0 0 0 2.549850 3.183240 0.164973 1XA 0 0.00000 0.00000 UNCH H121 24
41 15 1 0 0 0 0 0 0 0 0 0 0 2.703080 2.533560 1.816140 1XA 0 0.00000 0.00000 UNCH H122 25
41 15 1 0 0 0 0 0 0 0 0 0 0 4.175590 2.883210 0.838215 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 2.427940 1.760540 -0.158199 1XA 0 -0.21120 -0.21120 UNCH CL1 1
53 1 1 3 1 4 1 0 0 0 0 0 0 1.270400 3.333030 -0.941382 1XA 0 0.41320 0.41320 UNCH P1 2
16 2 1 5 1 0 0 0 0 0 0 0 0 -0.052591 3.188860 0.021368 1XA 0 -0.18350 -0.18350 UNCH O1 3
16 2 1 10 1 0 0 0 0 0 0 0 0 1.931190 4.584740 -0.107957 1XA 0 -0.18350 -0.18350 UNCH O2 4
2 3 1 6 2 10 1 0 0 0 0 0 0 -0.016440 4.135350 1.007320 1XA 0 0.08250 0.08250 UNCH C1 5
2 5 2 7 1 11 1 0 0 0 0 0 0 -0.968133 4.316890 1.988350 1XA 0 -0.15000 -0.15000 UNCH C2 6
2 6 1 8 2 12 1 0 0 0 0 0 0 -0.753447 5.341270 2.915240 1XA 0 -0.15000 -0.15000 UNCH C3 7
2 7 2 9 1 13 1 0 0 0 0 0 0 0.396615 6.150510 2.840270 1XA 0 -0.15000 -0.15000 UNCH C4 8
2 8 1 10 2 14 1 0 0 0 0 0 0 1.349170 5.947450 1.837290 1XA 0 -0.15000 -0.15000 UNCH C5 9
2 4 1 5 1 9 2 0 0 0 0 0 0 1.116490 4.932530 0.933467 1XA 0 0.08250 0.08250 UNCH C6 10
41 6 1 0 0 0 0 0 0 0 0 0 0 -1.848390 3.686420 2.039930 1XA 0 0.15000 0.15000 UNCH H2 11
41 7 1 0 0 0 0 0 0 0 0 0 0 -1.480860 5.514720 3.705500 1XA 0 0.15000 0.15000 UNCH H3 12
41 8 1 0 0 0 0 0 0 0 0 0 0 0.545419 6.940510 3.573400 1XA 0 0.15000 0.15000 UNCH H4 13
41 9 1 0 0 0 0 0 0 0 0 0 0 2.239320 6.562720 1.773450 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 6.093270 6.543310 3.322710 1XA 0 -0.57000 -0.57000 CHGB O1 1
15 6 2 0 0 0 0 0 0 0 0 0 0 5.548220 6.790140 6.454260 1XA 0 -0.57000 -0.57000 CHGB O2 2
15 7 2 0 0 0 0 0 0 0 0 0 0 4.555520 3.761140 6.520230 1XA 0 -0.57000 -0.57000 CHGB O3 3
15 8 2 0 0 0 0 0 0 0 0 0 0 5.100570 3.514310 3.388670 1XA 0 -0.57000 -0.57000 CHGB O4 4
2 1 2 6 1 8 1 0 0 0 0 0 0 5.687800 5.809720 4.165820 1XA 0 0.57000 0.57000 CHGB C1 5
2 2 2 5 1 7 1 0 0 0 0 0 0 5.430190 5.926380 5.645930 1XA 0 0.57000 0.57000 CHGB C2 6
2 3 2 6 1 8 1 0 0 0 0 0 0 4.960990 4.494740 5.677110 1XA 0 0.57000 0.57000 CHGB C3 7
2 4 2 5 1 7 1 0 0 0 0 0 0 5.218610 4.378070 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 -0.379614 1.347090 5.688170 1XA 0 -0.11000 -0.11000 FAGZ BR1 1
18 4 1 0 0 0 0 0 0 0 0 0 0 1.354220 1.281610 8.442840 1XA 0 -0.85000 -0.85000 FAGZ O1 2
15 5 2 0 0 0 0 0 0 0 0 0 0 -2.938720 0.135716 6.840690 1XA 0 -0.57000 -0.57000 FAGZ O2 3
2 2 1 6 2 7 1 0 0 0 0 0 0 0.106320 1.032660 8.481640 1XA 0 -0.13560 -0.13560 FAGZ C1 4
2 3 2 6 1 8 1 0 0 0 0 0 0 -2.270070 0.662980 7.736400 1XA 0 0.54120 0.54120 FAGZ C2 5
2 1 1 4 2 5 1 0 0 0 0 0 0 -0.825020 1.001480 7.500270 1XA 0 0.12440 0.12440 FAGZ C3 6
2 4 1 9 2 10 1 0 0 0 0 0 0 -0.480516 0.663289 9.843460 1XA 0 0.54120 0.54120 FAGZ C2M 7
2 5 1 10 2 11 1 0 0 0 0 0 0 -2.856940 1.032580 9.098140 1XA 0 -0.13560 -0.13560 FAGZ C1M 8
15 7 2 0 0 0 0 0 0 0 0 0 0 0.188191 0.136278 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 -4.104860 1.281410 9.136890 1XA 0 -0.85000 -0.85000 FAGZ O1M 11
58 10 1 0 0 0 0 0 0 0 0 0 0 -2.371040 1.347650 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 4.257830 2.407480 12.728400 1XA 0 1.33280 1.33280 FAHN S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 5.401040 3.149230 12.239800 1XA 0 -0.65000 -0.65000 FAHN O1 2
15 1 2 0 0 0 0 0 0 0 0 0 0 4.434920 1.057280 13.234700 1XA 0 -0.65000 -0.65000 FAHN O2 3
25 1 1 5 1 12 1 0 0 0 0 0 0 3.037460 2.351760 11.574800 1XA 0 -0.69270 -0.69270 FAHN N1 4
2 4 1 6 2 10 1 0 0 0 0 0 0 2.888880 3.422750 10.642100 1XA 0 0.19900 0.19900 FAHN C1 5
2 5 2 7 1 18 1 0 0 0 0 0 0 3.845690 3.921330 9.776530 1XA 0 -0.15000 -0.15000 FAHN C2 6
2 6 1 8 2 19 1 0 0 0 0 0 0 3.468620 4.920990 8.876110 1XA 0 -0.15000 -0.15000 FAHN C3 7
2 7 2 9 1 20 1 0 0 0 0 0 0 2.147260 5.392010 8.843710 1XA 0 -0.15000 -0.15000 FAHN C4 8
2 8 1 10 2 21 1 0 0 0 0 0 0 1.185630 4.869580 9.710910 1XA 0 -0.15000 -0.15000 FAHN C5 9
2 5 1 9 2 11 1 0 0 0 0 0 0 1.571130 3.877460 10.602200 1XA 0 -0.14350 -0.14350 FAHN C6 10
3 10 1 12 1 13 1 22 1 0 0 0 0 0.740920 3.207130 11.660300 1XA 0 0.28170 0.28170 FAHN C7 11
3 4 1 11 1 16 1 23 1 0 0 0 0 1.677510 2.000630 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 1.069570 4.008730 13.994800 1XA 0 -0.28820 -0.28820 FAHN C10 14
3 14 1 16 1 17 1 26 1 0 0 0 0 2.038210 2.877290 14.261100 1XA 0 0.40820 0.40820 FAHN C11 15
26 12 1 15 1 29 1 0 0 0 0 0 0 1.619770 1.698520 13.494800 1XA 0 -0.90000 -0.90000 FAHN N2 16
3 1 1 15 1 27 1 28 1 0 0 0 0 3.480490 3.340070 14.028500 1XA 0 0.10520 0.10520 FAHN C12 17
41 6 1 0 0 0 0 0 0 0 0 0 0 4.862470 3.541590 9.777730 1XA 0 0.15000 0.15000 FAHN H2 18
41 7 1 0 0 0 0 0 0 0 0 0 0 4.205410 5.331020 8.188970 1XA 0 0.15000 0.15000 FAHN H3 19
41 8 1 0 0 0 0 0 0 0 0 0 0 1.872130 6.170440 8.135290 1XA 0 0.15000 0.15000 FAHN H4 20
41 9 1 0 0 0 0 0 0 0 0 0 0 0.165343 5.239770 9.688110 1XA 0 0.15000 0.15000 FAHN H5 21
41 11 1 0 0 0 0 0 0 0 0 0 0 -0.203570 2.822150 11.259900 1XA 0 0.00000 0.00000 FAHN H7 22
41 12 1 0 0 0 0 0 0 0 0 0 0 1.357930 1.107540 11.514500 1XA 0 0.00000 0.00000 FAHN H8 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -0.230976 4.978180 12.639700 1XA 0 0.15000 0.15000 FAHN H9 24
41 14 1 0 0 0 0 0 0 0 0 0 0 0.881448 4.717950 14.796800 1XA 0 0.15000 0.15000 FAHN H10 25
41 15 1 0 0 0 0 0 0 0 0 0 0 1.926880 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 3.554440 4.398530 13.756300 1XA 0 0.00000 0.00000 FAHN H121 27
41 17 1 0 0 0 0 0 0 0 0 0 0 4.088480 3.171590 14.924200 1XA 0 0.00000 0.00000 FAHN H122 28
43 16 1 0 0 0 0 0 0 0 0 0 0 2.248270 0.911075 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 1.658010 4.193500 0.002872 1XA 0 -0.62000 -0.62000 FAHS N1 1
2 1 1 21 1 3 2 0 0 0 0 0 0 1.294470 5.498990 0.003106 1XA 0 0.52100 0.52100 FAHS C2 2
31 2 2 12 1 4 1 0 0 0 0 0 0 2.140710 6.549750 0.015903 1XA 0 -0.21000 -0.21000 FAHS N3 3
2 3 1 9 1 5 2 0 0 0 0 0 0 3.453820 6.265890 0.022004 1XA 0 0.47800 0.47800 FAHS C4 4
2 4 2 7 1 6 1 0 0 0 0 0 0 3.873500 4.933610 0.022210 1XA 0 0.11700 0.11700 FAHS C5 5
2 1 2 5 1 13 1 0 0 0 0 0 0 2.968400 3.897620 0.022354 1XA 0 0.41000 0.41000 FAHS C6 6
25 5 1 20 1 8 1 0 0 0 0 0 0 5.264060 4.895080 0.001120 1XA 0 -0.54700 -0.54700 FAHS N7 7
2 7 1 10 2 9 1 0 0 0 0 0 0 5.748330 6.202520 -0.014303 1XA 0 0.69000 0.69000 FAHS C8 8
25 4 1 8 1 11 1 0 0 0 0 0 0 4.621030 7.053310 0.013830 1XA 0 -0.47710 -0.47710 FAHS N9 9
15 8 2 0 0 0 0 0 0 0 0 0 0 6.919110 6.527910 -0.050303 1XA 0 -0.57000 -0.57000 FAHS O10 10
3 9 1 24 1 22 1 19 1 0 0 0 0 4.720790 8.482890 -0.014296 1XA 0 0.30010 0.30010 FAHS C11 11
3 3 1 25 1 17 1 15 1 0 0 0 0 1.618070 7.910310 0.010786 1XA 0 0.48800 0.48800 FAHS C12 12
25 6 1 23 1 14 1 0 0 0 0 0 0 3.414510 2.577040 -0.032004 1XA 0 -0.86910 -0.86910 FAHS N13 13
3 13 1 26 1 18 1 16 1 0 0 0 0 2.378980 1.552310 -0.014615 1XA 0 0.36910 0.36910 FAHS C14 14
41 12 1 0 0 0 0 0 0 0 0 0 0 1.969240 8.415950 0.912696 1XA 0 0.00000 0.00000 FAHS H1 15
41 14 1 0 0 0 0 0 0 0 0 0 0 2.850970 0.566846 -0.079348 1XA 0 0.00000 0.00000 FAHS H2 16
41 12 1 0 0 0 0 0 0 0 0 0 0 0.525017 7.893270 0.013852 1XA 0 0.00000 0.00000 FAHS H3 17
41 14 1 0 0 0 0 0 0 0 0 0 0 1.800410 1.586720 0.914794 1XA 0 0.00000 0.00000 FAHS H4 18
41 11 1 0 0 0 0 0 0 0 0 0 0 4.231920 8.899860 0.869555 1XA 0 0.00000 0.00000 FAHS H5 19
43 7 1 0 0 0 0 0 0 0 0 0 0 5.851160 4.074020 -0.062424 1XA 0 0.37000 0.37000 FAHS H6 20
41 2 1 0 0 0 0 0 0 0 0 0 0 0.224400 5.693920 -0.011111 1XA 0 0.15000 0.15000 FAHS H7 21
41 11 1 0 0 0 0 0 0 0 0 0 0 5.768670 8.796540 -0.010680 1XA 0 0.00000 0.00000 FAHS H8 22
43 13 1 0 0 0 0 0 0 0 0 0 0 4.127870 2.395180 0.670964 1XA 0 0.40000 0.40000 FAHS H9 23
41 11 1 0 0 0 0 0 0 0 0 0 0 4.249800 8.862050 -0.924711 1XA 0 0.00000 0.00000 FAHS H5L 24
41 12 1 0 0 0 0 0 0 0 0 0 0 1.965670 8.408140 -0.896810 1XA 0 0.00000 0.00000 FAHS H1L 25
41 14 1 0 0 0 0 0 0 0 0 0 0 1.704550 1.651660 -0.871910 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 2.698490 3.313990 6.029970 1XA 0 -0.37100 -0.37100 FAHY S1 1
18 3 1 0 0 0 0 0 0 0 0 0 0 1.027430 2.560220 8.188690 1XA 0 -0.63300 -0.63300 FAHY O1 2
31 2 1 12 1 10 2 0 0 0 0 0 0 1.545770 3.722260 8.335230 1XA 0 0.53000 0.53000 FAHY N1 3
2 10 1 9 1 5 2 0 0 0 0 0 0 2.913020 5.616080 7.540410 1XA 0 0.08620 0.08620 FAHY C1 4
2 4 2 13 1 6 1 0 0 0 0 0 0 4.288330 5.748100 7.745640 1XA 0 -0.15000 -0.15000 FAHY C2 5
2 5 1 14 1 7 2 0 0 0 0 0 0 4.845970 7.021360 7.858820 1XA 0 -0.15000 -0.15000 FAHY C3 6
2 6 2 15 1 8 1 0 0 0 0 0 0 4.032560 8.151690 7.761260 1XA 0 -0.15000 -0.15000 FAHY C4 7
2 7 1 16 1 9 2 0 0 0 0 0 0 2.660210 8.013940 7.545130 1XA 0 -0.15000 -0.15000 FAHY C5 8
2 4 1 8 2 17 1 0 0 0 0 0 0 2.095280 6.743720 7.431020 1XA 0 -0.15000 -0.15000 FAHY C6 9
2 1 1 3 2 4 1 0 0 0 0 0 0 2.327630 4.283870 7.428070 1XA 0 0.05880 0.05880 FAHY C7 10
3 1 1 20 1 19 1 18 1 0 0 0 0 1.144240 3.470600 5.121270 1XA 0 0.23000 0.23000 FAHY C8 11
3 3 1 23 1 22 1 21 1 0 0 0 0 1.208720 4.411330 9.602280 1XA 0 0.09900 0.09900 FAHY C9 12
41 5 1 0 0 0 0 0 0 0 0 0 0 4.927180 4.870810 7.815600 1XA 0 0.15000 0.15000 FAHY H2 13
41 6 1 0 0 0 0 0 0 0 0 0 0 5.915820 7.133690 8.017790 1XA 0 0.15000 0.15000 FAHY H3 14
41 7 1 0 0 0 0 0 0 0 0 0 0 4.471530 9.143290 7.845880 1XA 0 0.15000 0.15000 FAHY H4 15
41 8 1 0 0 0 0 0 0 0 0 0 0 2.034130 8.898880 7.459000 1XA 0 0.15000 0.15000 FAHY H5 16
41 9 1 0 0 0 0 0 0 0 0 0 0 1.028750 6.646340 7.246570 1XA 0 0.15000 0.15000 FAHY H6 17
41 11 1 0 0 0 0 0 0 0 0 0 0 0.916377 4.524210 4.937960 1XA 0 0.00000 0.00000 FAHY H81 18
41 11 1 0 0 0 0 0 0 0 0 0 0 0.316516 3.014930 5.669830 1XA 0 0.00000 0.00000 FAHY H82 19
41 11 1 0 0 0 0 0 0 0 0 0 0 1.239360 2.963620 4.157360 1XA 0 0.00000 0.00000 FAHY H83 20
41 12 1 0 0 0 0 0 0 0 0 0 0 0.729293 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 0.514419 5.224930 9.382050 1XA 0 0.00000 0.00000 FAHY H92 22
41 12 1 0 0 0 0 0 0 0 0 0 0 2.125180 4.780840 10.068100 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 3.777010 1.417360 10.042700 1XA 0 1.62170 1.62170 UNCH S1 1
16 1 1 7 1 0 0 0 0 0 0 0 0 3.911410 0.325544 8.853220 1XA 0 -0.26040 -0.26040 UNCH O1 2
15 9 2 0 0 0 0 0 0 0 0 0 0 3.107050 -1.295460 12.564400 1XA 0 -0.57000 -0.57000 UNCH O2 3
15 1 2 0 0 0 0 0 0 0 0 0 0 2.456910 2.005310 9.981810 1XA 0 -0.65000 -0.65000 UNCH O3 4
15 1 2 0 0 0 0 0 0 0 0 0 0 4.962080 2.245010 10.050000 1XA 0 -0.65000 -0.65000 UNCH O4 5
25 1 1 9 1 22 1 0 0 0 0 0 0 3.829580 0.506398 11.411400 1XA 0 -0.79430 -0.79430 UNCH N1 6
2 2 1 8 2 11 1 0 0 0 0 0 0 3.416930 -0.950258 9.012080 1XA 0 0.04830 0.04830 UNCH C1 7
2 7 2 9 1 10 1 0 0 0 0 0 0 3.102800 -1.515520 10.195700 1XA 0 -0.12380 -0.12380 UNCH C2 8
2 3 2 6 1 8 1 0 0 0 0 0 0 3.325730 -0.784370 11.476800 1XA 0 0.79190 0.79190 UNCH C3 9
3 8 1 23 1 24 1 25 1 0 0 0 0 2.529020 -2.894580 10.379500 1XA 0 0.13820 0.13820 UNCH C4 10
2 7 1 12 2 16 1 0 0 0 0 0 0 3.271750 -1.648190 7.728500 1XA 0 0.02840 0.02840 UNCH C5 11
2 11 2 13 1 17 1 0 0 0 0 0 0 2.191520 -1.348650 6.889040 1XA 0 -0.15000 -0.15000 UNCH C6 12
2 12 1 14 2 18 1 0 0 0 0 0 0 2.047090 -2.009010 5.667620 1XA 0 -0.15000 -0.15000 UNCH C7 13
2 13 2 15 1 19 1 0 0 0 0 0 0 2.981690 -2.967250 5.277280 1XA 0 -0.15000 -0.15000 UNCH C8 14
2 14 1 16 2 20 1 0 0 0 0 0 0 4.063760 -3.265110 6.104650 1XA 0 -0.15000 -0.15000 UNCH C9 15
2 11 1 15 2 21 1 0 0 0 0 0 0 4.211180 -2.606600 7.326810 1XA 0 -0.15000 -0.15000 UNCH C10 16
41 12 1 0 0 0 0 0 0 0 0 0 0 1.457550 -0.599424 7.178610 1XA 0 0.15000 0.15000 UNCH H1 17
41 13 1 0 0 0 0 0 0 0 0 0 0 1.207150 -1.773250 5.018780 1XA 0 0.15000 0.15000 UNCH H2 18
41 14 1 0 0 0 0 0 0 0 0 0 0 2.869250 -3.478780 4.324420 1XA 0 0.15000 0.15000 UNCH H3 19
41 15 1 0 0 0 0 0 0 0 0 0 0 4.795120 -4.007710 5.795390 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 7.958020 1XA 0 0.15000 0.15000 UNCH H5 21
43 6 1 0 0 0 0 0 0 0 0 0 0 3.905950 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 2.281450 -3.391660 9.437800 1XA 0 0.00000 0.00000 UNCH H7 23
41 10 1 0 0 0 0 0 0 0 0 0 0 3.241060 -3.533440 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 -2.846380 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 5.825680 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 5.382130 3.482890 1XA 0 -0.57000 -0.57000 UNCH O2 2
16 9 1 11 1 0 0 0 0 0 0 0 0 4.176380 2.079480 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 3.759080 3.181430 1XA 0 -0.49000 -0.49000 UNCH N1 4
25 8 1 10 2 0 0 0 0 0 0 0 0 5.013780 5.705560 4.302510 1XA 0 -0.66100 -0.66100 UNCH N3 5
25 10 1 11 2 0 0 0 0 0 0 0 0 3.451720 3.975310 3.970470 1XA 0 -0.66100 -0.66100 UNCH N5 6
3 1 1 13 1 14 1 15 1 0 0 0 0 3.118330 7.121980 5.582600 1XA 0 0.28000 0.28000 UNCH C1 7
2 2 2 4 1 5 1 0 0 0 0 0 0 5.960770 4.977880 3.653390 1XA 0 0.84100 0.84100 UNCH C2 8
3 3 1 16 1 17 1 18 1 0 0 0 0 2.864900 1.523050 2.983040 1XA 0 0.28000 0.28000 UNCH C3 9
2 1 1 5 2 6 1 0 0 0 0 0 0 3.844000 5.190780 4.427680 1XA 0 0.81100 0.81100 UNCH C4 10
2 3 1 4 1 6 2 0 0 0 0 0 0 4.360440 3.309500 3.363110 1XA 0 0.66000 0.66000 UNCH C6 11
43 4 1 0 0 0 0 0 0 0 0 0 0 6.298970 3.208130 2.698830 1XA 0 0.37000 0.37000 UNCH H1 12
41 7 1 0 0 0 0 0 0 0 0 0 0 3.902590 7.058730 6.343330 1XA 0 0.00000 0.00000 UNCH H11 13
41 7 1 0 0 0 0 0 0 0 0 0 0 3.405770 7.807400 4.779260 1XA 0 0.00000 0.00000 UNCH H12 14
41 7 1 0 0 0 0 0 0 0 0 0 0 2.210300 7.506710 6.055190 1XA 0 0.00000 0.00000 UNCH H13 15
41 9 1 0 0 0 0 0 0 0 0 0 0 2.862250 0.536404 2.511600 1XA 0 0.00000 0.00000 UNCH H31 16
41 9 1 0 0 0 0 0 0 0 0 0 0 2.619940 1.401200 4.042670 1XA 0 0.00000 0.00000 UNCH H32 17
41 9 1 0 0 0 0 0 0 0 0 0 0 2.123110 2.149890 2.478570 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 -2.747470 -1.551010 10.688100 1XA 0 -0.67730 -0.67730 UNCH S1 1
53 1 2 3 1 4 1 9 1 0 0 0 0 -1.887140 -0.575370 9.235010 1XA 0 1.35540 1.35540 UNCH P1 2
16 2 1 7 1 0 0 0 0 0 0 0 0 -0.278626 -0.403085 9.508360 1XA 0 -0.55120 -0.55120 UNCH O1 3
25 2 1 5 1 6 1 0 0 0 0 0 0 -1.944450 -1.231110 7.699160 1XA 0 -0.80790 -0.80790 UNCH N1 4
3 4 1 15 1 16 1 17 1 0 0 0 0 -1.316900 -0.488480 6.606320 1XA 0 0.27000 0.27000 UNCH C1 5
3 4 1 18 1 19 1 20 1 0 0 0 0 -1.551960 -2.638110 7.587440 1XA 0 0.27000 0.27000 UNCH C2 6
3 3 1 8 1 14 1 21 1 0 0 0 0 0.129567 0.965800 9.708930 1XA 0 0.42350 0.42350 UNCH C3 7
2 7 1 9 2 13 1 0 0 0 0 0 0 -1.043100 1.858170 9.386140 1XA 0 -0.14350 -0.14350 UNCH C4 8
2 2 1 8 2 10 1 0 0 0 0 0 0 -2.216860 1.149760 9.103670 1XA 0 -0.13900 -0.13900 UNCH C5 9
2 9 1 11 2 22 1 0 0 0 0 0 0 -3.399420 1.803440 8.789120 1XA 0 -0.15000 -0.15000 UNCH C6 10
2 10 2 12 1 23 1 0 0 0 0 0 0 -3.398570 3.197380 8.750160 1XA 0 -0.15000 -0.15000 UNCH C7 11
2 11 1 13 2 24 1 0 0 0 0 0 0 -2.225820 3.914510 9.025110 1XA 0 -0.15000 -0.15000 UNCH C8 12
2 8 1 12 2 25 1 0 0 0 0 0 0 -1.040510 3.247110 9.344760 1XA 0 -0.15000 -0.15000 UNCH C9 13
3 7 1 26 1 27 1 28 1 0 0 0 0 0.611805 1.119630 11.142500 1XA 0 0.00000 0.00000 UNCH C10 14
41 5 1 0 0 0 0 0 0 0 0 0 0 -0.231788 -0.421238 6.737160 1XA 0 0.00000 0.00000 UNCH H11 15
41 5 1 0 0 0 0 0 0 0 0 0 0 -1.717800 0.526431 6.536970 1XA 0 0.00000 0.00000 UNCH H12 16
41 5 1 0 0 0 0 0 0 0 0 0 0 -1.521840 -0.957266 5.637070 1XA 0 0.00000 0.00000 UNCH H13 17
41 6 1 0 0 0 0 0 0 0 0 0 0 -1.732950 -3.025200 6.578260 1XA 0 0.00000 0.00000 UNCH H21 18
41 6 1 0 0 0 0 0 0 0 0 0 0 -0.493112 -2.776170 7.830950 1XA 0 0.00000 0.00000 UNCH H22 19
41 6 1 0 0 0 0 0 0 0 0 0 0 -2.143380 -3.265200 8.260630 1XA 0 0.00000 0.00000 UNCH H23 20
41 7 1 0 0 0 0 0 0 0 0 0 0 0.943749 1.165260 9.004180 1XA 0 0.00000 0.00000 UNCH H3 21
41 10 1 0 0 0 0 0 0 0 0 0 0 -4.304970 1.240910 8.580510 1XA 0 0.15000 0.15000 UNCH H6 22
41 11 1 0 0 0 0 0 0 0 0 0 0 -4.313990 3.732850 8.508290 1XA 0 0.15000 0.15000 UNCH H7 23
41 12 1 0 0 0 0 0 0 0 0 0 0 -2.241830 5.001830 8.992590 1XA 0 0.15000 0.15000 UNCH H8 24
41 13 1 0 0 0 0 0 0 0 0 0 0 -0.138509 3.813880 9.558200 1XA 0 0.15000 0.15000 UNCH H9 25
41 14 1 0 0 0 0 0 0 0 0 0 0 0.969569 2.134540 11.342300 1XA 0 0.00000 0.00000 UNCH H101 26
41 14 1 0 0 0 0 0 0 0 0 0 0 -0.188062 0.891635 11.856400 1XA 0 0.00000 0.00000 UNCH H102 27
41 14 1 0 0 0 0 0 0 0 0 0 0 1.426330 0.416610 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 -0.029554 2.152870 5.755180 1XA 0 0.00600 0.00600 FAMY BR1 1
25 1 1 3 1 7 1 0 0 0 0 0 0 0.045564 3.551990 6.990080 1XA 0 -0.12600 -0.12600 FAMY N1 2
2 2 1 4 2 5 1 0 0 0 0 0 0 0.925082 3.581890 8.034500 1XA 0 0.56900 0.56900 FAMY C2 3
15 3 2 0 0 0 0 0 0 0 0 0 0 1.770720 2.751000 8.333460 1XA 0 -0.57000 -0.57000 FAMY O2 4
3 3 1 6 1 9 1 10 1 0 0 0 0 0.697996 4.846650 8.808750 1XA 0 0.06100 0.06100 FAMY C3 5
3 5 1 7 1 11 1 12 1 0 0 0 0 -0.430009 5.551410 8.078890 1XA 0 0.06100 0.06100 FAMY C4 6
2 2 1 6 1 8 2 0 0 0 0 0 0 -0.773756 4.643300 6.935290 1XA 0 0.56900 0.56900 FAMY C5 7
15 7 2 0 0 0 0 0 0 0 0 0 0 -1.650820 4.888740 6.119590 1XA 0 -0.57000 -0.57000 FAMY O5 8
41 5 1 0 0 0 0 0 0 0 0 0 0 0.417258 4.606120 9.838290 1XA 0 0.00000 0.00000 FAMY H31 9
41 5 1 0 0 0 0 0 0 0 0 0 0 1.610340 5.450180 8.809420 1XA 0 0.00000 0.00000 FAMY H32 10
41 6 1 0 0 0 0 0 0 0 0 0 0 -1.303000 5.680910 8.725220 1XA 0 0.00000 0.00000 FAMY H41 11
41 6 1 0 0 0 0 0 0 0 0 0 0 -0.109914 6.524980 7.696350 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 3.243590 1.051910 2.163880 1XA 0 1.38930 1.38930 FAPL P1 1
25 1 1 11 1 6 1 0 0 0 0 0 0 2.935990 0.603974 0.586488 1XA 0 -0.68600 -0.68600 FAPL N1 2
25 1 1 12 1 5 1 0 0 0 0 0 0 2.668750 2.615910 2.080900 1XA 0 -0.68600 -0.68600 FAPL N2 3
25 13 1 6 1 5 1 0 0 0 0 0 0 1.180410 2.090680 0.396419 1XA 0 -0.49000 -0.49000 FAPL N3 4
2 3 1 4 1 9 2 0 0 0 0 0 0 1.644870 2.989640 1.302030 1XA 0 0.69000 0.69000 FAPL C1 5
2 2 1 4 1 10 2 0 0 0 0 0 0 1.900470 1.065370 -0.127265 1XA 0 0.69000 0.69000 FAPL C2 6
51 1 1 0 0 0 0 0 0 0 0 0 0 5.150870 1.050310 2.507120 1XA 0 -0.92730 -0.92730 FAPL S1 7
15 1 2 0 0 0 0 0 0 0 0 0 0 2.329930 0.265444 3.059310 1XA 0 -0.95000 -0.95000 FAPL O1 8
15 5 2 0 0 0 0 0 0 0 0 0 0 1.167020 4.122840 1.362280 1XA 0 -0.57000 -0.57000 FAPL O2 9
15 6 2 0 0 0 0 0 0 0 0 0 0 1.632770 0.616493 -1.242140 1XA 0 -0.57000 -0.57000 FAPL O3 10
43 2 1 0 0 0 0 0 0 0 0 0 0 3.430260 -0.196803 0.239316 1XA 0 0.37000 0.37000 FAPL H1 11
43 3 1 0 0 0 0 0 0 0 0 0 0 2.972690 3.247950 2.797990 1XA 0 0.37000 0.37000 FAPL H2 12
43 4 1 0 0 0 0 0 0 0 0 0 0 0.468045 2.450740 -0.215725 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 7.857840 6.742460 2.177030 1XA 0 -0.18100 -0.18100 UNCH C1 1
2 1 2 3 1 18 1 0 0 0 0 0 0 7.465510 6.813490 3.460720 1XA 0 -0.15000 -0.15000 UNCH C2 2
2 2 1 4 2 19 1 0 0 0 0 0 0 7.413360 5.593550 4.253320 1XA 0 -0.15000 -0.15000 UNCH C3 3
2 3 2 5 1 20 1 0 0 0 0 0 0 7.748280 4.396780 3.732220 1XA 0 -0.10500 -0.10500 UNCH C4 4
2 4 1 6 2 16 1 0 0 0 0 0 0 8.165530 4.308700 2.373330 1XA 0 0.14150 0.14150 UNCH C41 5
25 5 2 7 1 0 0 0 0 0 0 0 0 8.539140 3.273200 1.640520 1XA 0 -0.56530 -0.56530 UNCH N5 6
2 6 1 8 1 15 2 0 0 0 0 0 0 8.820590 3.806910 0.423840 1XA 0 0.45440 0.45440 UNCH C51 7
25 7 1 9 2 0 0 0 0 0 0 0 0 9.247910 3.343800 -0.779198 1XA 0 -0.56530 -0.56530 UNCH N6 8
2 8 2 10 1 14 1 0 0 0 0 0 0 9.312080 4.422910 -1.540940 1XA 0 0.14150 0.14150 UNCH C61 9
2 9 1 11 2 21 1 0 0 0 0 0 0 9.691930 4.590400 -2.903330 1XA 0 -0.10500 -0.10500 UNCH C7 10
2 10 2 12 1 22 1 0 0 0 0 0 0 9.672000 5.818540 -3.457630 1XA 0 -0.15000 -0.15000 UNCH C8 11
2 11 1 13 2 23 1 0 0 0 0 0 0 9.269430 6.993180 -2.697800 1XA 0 -0.15000 -0.15000 UNCH C9 12
2 12 2 14 1 24 1 0 0 0 0 0 0 8.908860 6.847150 -1.411140 1XA 0 -0.18100 -0.18100 UNCH C10 13
25 9 1 13 1 15 1 0 0 0 0 0 0 8.930930 5.577200 -0.842878 1XA 0 0.33420 0.33420 UNCH N11 14
2 7 2 14 1 16 1 0 0 0 0 0 0 8.624320 5.148130 0.405483 1XA 0 -0.30320 -0.30320 UNCH C111 15
25 1 1 5 1 15 1 0 0 0 0 0 0 8.202750 5.504670 1.643090 1XA 0 0.33420 0.33420 UNCH N12 16
41 1 1 0 0 0 0 0 0 0 0 0 0 7.918990 7.608600 1.533170 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 3.925960 1XA 0 0.15000 0.15000 UNCH H2 18
41 3 1 0 0 0 0 0 0 0 0 0 0 7.093530 5.674420 5.288180 1XA 0 0.15000 0.15000 UNCH H3 19
41 4 1 0 0 0 0 0 0 0 0 0 0 7.710140 3.487060 4.320740 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 -3.467420 1XA 0 0.15000 0.15000 UNCH H7 21
41 11 1 0 0 0 0 0 0 0 0 0 0 9.959310 5.959890 -4.495520 1XA 0 0.15000 0.15000 UNCH H8 22
41 12 1 0 0 0 0 0 0 0 0 0 0 9.270010 7.960500 -3.189130 1XA 0 0.15000 0.15000 UNCH H9 23
41 13 1 0 0 0 0 0 0 0 0 0 0 8.599620 7.676400 -0.790482 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 3.049450 6.216590 2.618020 1XA 0 0.44140 0.44140 FARS S1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 3.501680 4.951660 1.632840 1XA 0 -0.50950 -0.50950 FARS N1 2
2 2 2 4 1 6 1 0 0 0 0 0 0 3.994830 5.501390 0.519829 1XA 0 0.24280 0.24280 FARS C1 3
2 3 1 5 2 7 1 0 0 0 0 0 0 4.001810 6.965970 0.534970 1XA 0 0.24280 0.24280 FARS C2 4
25 1 1 4 2 0 0 0 0 0 0 0 0 3.513810 7.497250 1.659150 1XA 0 -0.50950 -0.50950 FARS N2 5
2 3 1 8 2 14 1 0 0 0 0 0 0 4.530900 4.741220 -0.604516 1XA 0 0.09200 0.09200 FARS C3 6
2 4 1 9 2 15 1 0 0 0 0 0 0 4.545210 7.744080 -0.573472 1XA 0 0.09200 0.09200 FARS C4 7
2 6 2 10 1 16 1 0 0 0 0 0 0 4.170810 3.461170 -0.895191 1XA 0 0.13000 0.13000 FARS C5 8
2 7 2 11 1 17 1 0 0 0 0 0 0 4.197370 9.033250 -0.837586 1XA 0 0.13000 0.13000 FARS C6 9
1 8 1 12 3 0 0 0 0 0 0 0 0 3.195740 2.742660 -0.139589 1XA 0 0.49210 0.49210 FARS C7 10
1 9 1 13 3 0 0 0 0 0 0 0 0 3.229120 9.745240 -0.067197 1XA 0 0.49210 0.49210 FARS C8 11
24 10 3 0 0 0 0 0 0 0 0 0 0 2.386620 2.139170 0.432792 1XA 0 -0.55710 -0.55710 FARS N3 12
24 11 3 0 0 0 0 0 0 0 0 0 0 2.425720 10.344400 0.517618 1XA 0 -0.55710 -0.55710 FARS N4 13
2 6 1 15 1 18 2 0 0 0 0 0 0 5.489680 5.513980 -1.387430 1XA 0 0.24280 0.24280 FARS C1B 14
2 7 1 14 1 19 2 0 0 0 0 0 0 5.496660 6.978570 -1.372290 1XA 0 0.24280 0.24280 FARS C2B 15
1 8 1 20 3 0 0 0 0 0 0 0 0 4.676130 2.755130 -2.028380 1XA 0 0.49210 0.49210 FARS C7B 16
1 9 1 21 3 0 0 0 0 0 0 0 0 4.709500 9.757710 -1.955990 1XA 0 0.49210 0.49210 FARS C8B 17
25 14 2 22 1 0 0 0 0 0 0 0 0 6.456110 4.976550 -2.136670 1XA 0 -0.50950 -0.50950 FARS N1B 18
25 15 2 22 1 0 0 0 0 0 0 0 0 6.468240 7.522140 -2.110350 1XA 0 -0.50950 -0.50950 FARS N2B 19
24 16 3 0 0 0 0 0 0 0 0 0 0 5.042450 2.161540 -2.955730 1XA 0 -0.55710 -0.55710 FARS N3B 20
24 17 3 0 0 0 0 0 0 0 0 0 0 5.081550 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 7.296570 6.252370 -2.800790 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 0.656814 0.726113 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 2.236180 9.833620 1XA 0 -0.75000 -0.75000 CHGB S2 2
25 5 1 6 2 0 0 0 0 0 0 0 0 0.275033 3.269690 12.148200 1XA 0 -0.80800 -0.80800 CHGB N1 3
25 6 1 8 1 9 1 0 0 0 0 0 0 1.403780 5.023780 10.988800 1XA 0 -0.85000 -0.85000 CHGB N2 4
2 1 2 2 1 3 1 0 0 0 0 0 0 0.735618 2.151510 11.451300 1XA 0 0.85800 0.85800 CHGB C1 5
2 3 2 4 1 7 1 0 0 0 0 0 0 0.549745 4.508030 11.926200 1XA 0 0.43900 0.43900 CHGB C2 6
3 6 1 10 1 11 1 12 1 0 0 0 0 -0.165303 5.520310 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 5.851070 10.518800 1XA 0 0.40000 0.40000 CHGB H1 8
43 4 1 0 0 0 0 0 0 0 0 0 0 1.644230 4.293180 10.307700 1XA 0 0.40000 0.40000 CHGB H2 9
41 7 1 0 0 0 0 0 0 0 0 0 0 -0.576354 5.042070 13.688900 1XA 0 0.00000 0.00000 CHGB H3 10
41 7 1 0 0 0 0 0 0 0 0 0 0 -0.981989 5.968280 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 6.307140 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 1.546320 0.328927 0.540416 1XA 0 0.55000 0.55000 UNCH C1 1
25 1 2 3 1 0 0 0 0 0 0 0 0 1.543380 1.359720 -0.270008 1XA 0 -0.50300 -0.50300 UNCH N1 2
26 2 1 8 1 9 1 0 0 0 0 0 0 2.091930 1.123390 -1.496430 1XA 0 -0.66700 -0.66700 UNCH N2 3
25 1 1 5 1 10 1 0 0 0 0 0 0 2.093770 -0.899921 0.202574 1XA 0 -0.46100 -0.46100 UNCH N3 4
26 4 1 11 1 12 1 0 0 0 0 0 0 2.557320 -1.738580 1.250000 1XA 0 -0.70900 -0.70900 UNCH N4 5
25 1 1 7 1 13 1 0 0 0 0 0 0 1.012020 0.362927 1.816000 1XA 0 -0.46100 -0.46100 UNCH N5 6
26 6 1 14 1 15 1 0 0 0 0 0 0 0.030488 1.350770 2.081030 1XA 0 -0.70900 -0.70900 UNCH N6 7
43 3 1 0 0 0 0 0 0 0 0 0 0 2.326520 2.027050 -1.918730 1XA 0 0.36000 0.36000 UNCH H1 8
43 3 1 0 0 0 0 0 0 0 0 0 0 1.363220 0.753268 -2.115260 1XA 0 0.36000 0.36000 UNCH H2 9
43 4 1 0 0 0 0 0 0 0 0 0 0 2.681300 -0.766866 -0.625889 1XA 0 0.40000 0.40000 UNCH H3 10
43 5 1 0 0 0 0 0 0 0 0 0 0 2.907860 -2.617910 0.863566 1XA 0 0.36000 0.36000 UNCH H4 11
43 5 1 0 0 0 0 0 0 0 0 0 0 3.355270 -1.292560 1.713900 1XA 0 0.36000 0.36000 UNCH H5 12
43 6 1 0 0 0 0 0 0 0 0 0 0 0.859624 -0.582711 2.171870 1XA 0 0.40000 0.40000 UNCH H6 13
43 7 1 0 0 0 0 0 0 0 0 0 0 0.437190 2.257870 1.824060 1XA 0 0.36000 0.36000 UNCH H7 14
43 7 1 0 0 0 0 0 0 0 0 0 0 -0.736880 1.238060 1.412410 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 0.642493 2.549070 8.946060 1XA 0 1.48430 1.48430 FASG P1 1
53 5 1 7 1 8 1 10 1 0 0 0 0 -2.286930 3.987830 8.552600 1XA 0 1.50370 1.50370 FASG P2 2
51 1 1 0 0 0 0 0 0 0 0 0 0 2.108090 3.800660 8.587280 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 9.513840 1XA 0 -0.35370 -0.35370 FASG O1 4
18 2 1 0 0 0 0 0 0 0 0 0 0 -2.114920 5.067170 7.525490 1XA 0 -0.70000 -0.70000 FASG O2 5
26 1 1 7 1 17 1 0 0 0 0 0 0 -0.451973 2.193120 7.705680 1XA 0 -0.53790 -0.53790 FASG N1 6
26 2 1 6 1 21 1 0 0 0 0 0 0 -1.914280 2.461050 7.988430 1XA 0 -0.62790 -0.62790 FASG N2 7
26 2 1 9 1 27 1 0 0 0 0 0 0 -1.272350 4.235510 9.855800 1XA 0 -0.62790 -0.62790 FASG N3 8
26 1 1 8 1 18 1 0 0 0 0 0 0 -0.385812 3.069870 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 3.833510 9.172780 1XA 0 -0.80790 -0.80790 FASG N5 10
2 4 1 12 2 16 1 0 0 0 0 0 0 1.731240 0.098019 8.829540 1XA 0 0.08250 0.08250 FASG C1 11
2 11 2 13 1 22 1 0 0 0 0 0 0 1.653920 -1.163870 9.424280 1XA 0 -0.15000 -0.15000 FASG C2 12
2 12 1 14 2 23 1 0 0 0 0 0 0 2.249360 -2.270130 8.817190 1XA 0 -0.15000 -0.15000 FASG C3 13
2 13 2 15 1 24 1 0 0 0 0 0 0 2.932260 -2.115480 7.613720 1XA 0 -0.15000 -0.15000 FASG C4 14
2 14 1 16 2 25 1 0 0 0 0 0 0 3.021580 -0.855298 7.024830 1XA 0 -0.15000 -0.15000 FASG C5 15
2 11 1 15 2 26 1 0 0 0 0 0 0 2.423990 0.252532 7.633490 1XA 0 -0.15000 -0.15000 FASG C6 16
3 6 1 28 1 29 1 30 1 0 0 0 0 -0.181903 2.646810 6.344100 1XA 0 0.27000 0.27000 FASG C7 17
3 9 1 31 1 32 1 33 1 0 0 0 0 0.195718 3.314010 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 3.163770 10.454200 1XA 0 0.27000 0.27000 FASG C9 19
3 10 1 37 1 38 1 39 1 0 0 0 0 -4.636830 5.031490 9.121890 1XA 0 0.27000 0.27000 FASG C10 20
43 7 1 0 0 0 0 0 0 0 0 0 0 -2.229410 1.781860 8.675330 1XA 0 0.36000 0.36000 FASG H1 21
41 12 1 0 0 0 0 0 0 0 0 0 0 1.123560 -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 2.181580 -3.249320 9.283710 1XA 0 0.15000 0.15000 FASG H3 23
41 14 1 0 0 0 0 0 0 0 0 0 0 3.400020 -2.973500 7.137710 1XA 0 0.15000 0.15000 FASG H4 24
41 15 1 0 0 0 0 0 0 0 0 0 0 3.564910 -0.731438 6.090940 1XA 0 0.15000 0.15000 FASG H5 25
41 16 1 0 0 0 0 0 0 0 0 0 0 2.538880 1.215770 7.151680 1XA 0 0.15000 0.15000 FASG H6 26
43 8 1 0 0 0 0 0 0 0 0 0 0 -0.690796 5.044180 9.623880 1XA 0 0.36000 0.36000 FASG H7 27
41 17 1 0 0 0 0 0 0 0 0 0 0 -0.194534 3.737770 6.262450 1XA 0 0.00000 0.00000 FASG H8 28
41 17 1 0 0 0 0 0 0 0 0 0 0 -0.915513 2.238050 5.639640 1XA 0 0.00000 0.00000 FASG H9 29
41 17 1 0 0 0 0 0 0 0 0 0 0 0.796732 2.293470 6.008020 1XA 0 0.00000 0.00000 FASG H10 30
41 18 1 0 0 0 0 0 0 0 0 0 0 0.846115 4.194760 11.522100 1XA 0 0.00000 0.00000 FASG H11 31
41 18 1 0 0 0 0 0 0 0 0 0 0 -0.589420 3.458890 12.266100 1XA 0 0.00000 0.00000 FASG H12 32
41 18 1 0 0 0 0 0 0 0 0 0 0 0.786631 2.450580 11.837100 1XA 0 0.00000 0.00000 FASG H13 33
41 19 1 0 0 0 0 0 0 0 0 0 0 -3.454690 2.212480 10.483500 1XA 0 0.00000 0.00000 FASG H14 34
41 19 1 0 0 0 0 0 0 0 0 0 0 -5.051180 2.923250 10.618900 1XA 0 0.00000 0.00000 FASG H15 35
41 19 1 0 0 0 0 0 0 0 0 0 0 -3.645930 3.778890 11.290500 1XA 0 0.00000 0.00000 FASG H16 36
41 20 1 0 0 0 0 0 0 0 0 0 0 -4.666110 5.435400 8.104630 1XA 0 0.00000 0.00000 FASG H17 37
41 20 1 0 0 0 0 0 0 0 0 0 0 -4.253130 5.810680 9.788970 1XA 0 0.00000 0.00000 FASG H18 38
41 20 1 0 0 0 0 0 0 0 0 0 0 -5.674550 4.812000 9.396570 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 -1.800370 -1.739930 9.790510 1XA 0 1.49180 1.49180 FASJ P1 1
18 1 1 0 0 0 0 0 0 0 0 0 0 -1.141800 -2.131540 11.084600 1XA 0 -0.70000 -0.70000 FASJ O1 2
15 8 2 0 0 0 0 0 0 0 0 0 0 -0.765922 1.007350 10.450200 1XA 0 -0.57000 -0.57000 FASJ O2 3
16 13 1 19 1 0 0 0 0 0 0 0 0 0.759841 5.018730 7.604550 1XA 0 -0.36250 -0.36250 FASJ O3 4
25 1 1 8 1 20 1 0 0 0 0 0 0 -0.875960 -0.664732 8.887070 1XA 0 -0.68600 -0.68600 FASJ N1 5
26 1 1 15 1 16 1 0 0 0 0 0 0 -3.319110 -1.094650 9.887510 1XA 0 -0.58390 -0.58390 FASJ N2 6
26 1 1 17 1 18 1 0 0 0 0 0 0 -1.961430 -2.998000 8.713620 1XA 0 -0.58390 -0.58390 FASJ N3 7
2 3 2 5 1 9 1 0 0 0 0 0 0 -0.503227 0.565396 9.339270 1XA 0 0.54380 0.54380 FASJ C1 8
2 8 1 10 2 14 1 0 0 0 0 0 0 0.237026 1.417990 8.367800 1XA 0 0.08620 0.08620 FASJ C2 9
2 9 2 11 1 21 1 0 0 0 0 0 0 1.050390 0.866849 7.369160 1XA 0 -0.15000 -0.15000 FASJ C3 10
2 10 1 12 2 22 1 0 0 0 0 0 0 1.721060 1.706420 6.480810 1XA 0 -0.15000 -0.15000 FASJ C4 11
2 11 2 13 1 23 1 0 0 0 0 0 0 1.586530 3.090630 6.595830 1XA 0 -0.15000 -0.15000 FASJ C5 12
2 4 1 12 1 14 2 0 0 0 0 0 0 0.793890 3.651480 7.600910 1XA 0 0.08250 0.08250 FASJ C6 13
2 9 1 13 2 24 1 0 0 0 0 0 0 0.121250 2.811800 8.488560 1XA 0 -0.15000 -0.15000 FASJ C7 14
3 6 1 16 1 25 1 26 1 0 0 0 0 -4.221780 -1.583460 10.924500 1XA 0 -0.04200 -0.04200 FASJ C8 15
3 6 1 15 1 27 1 28 1 0 0 0 0 -3.624490 -0.206029 11.005200 1XA 0 -0.04200 -0.04200 FASJ C9 16
3 7 1 18 1 29 1 30 1 0 0 0 0 -0.953265 -4.053530 8.719200 1XA 0 -0.04200 -0.04200 FASJ C10 17
3 7 1 17 1 31 1 32 1 0 0 0 0 -2.344320 -4.306860 9.234600 1XA 0 -0.04200 -0.04200 FASJ C11 18
3 4 1 33 1 34 1 35 1 0 0 0 0 0.021308 5.640350 8.649930 1XA 0 0.28000 0.28000 FASJ C12 19
43 5 1 0 0 0 0 0 0 0 0 0 0 -0.821220 -0.895807 7.911740 1XA 0 0.37000 0.37000 FASJ H1 20
41 10 1 0 0 0 0 0 0 0 0 0 0 1.195850 -0.206152 7.285860 1XA 0 0.15000 0.15000 FASJ H2 21
41 11 1 0 0 0 0 0 0 0 0 0 0 2.357260 1.287840 5.704900 1XA 0 0.15000 0.15000 FASJ H3 22
41 12 1 0 0 0 0 0 0 0 0 0 0 2.113740 3.742590 5.902540 1XA 0 0.15000 0.15000 FASJ H4 23
41 14 1 0 0 0 0 0 0 0 0 0 0 -0.503385 3.210630 9.282430 1XA 0 0.15000 0.15000 FASJ H5 24
41 15 1 0 0 0 0 0 0 0 0 0 0 -5.261900 -1.674460 10.641400 1XA 0 0.10000 0.10000 FASJ H6 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -3.848010 -2.340630 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 -0.026406 11.733000 1XA 0 0.10000 0.10000 FASJ H8 27
41 16 1 0 0 0 0 0 0 0 0 0 0 -4.249120 0.645745 10.772200 1XA 0 0.10000 0.10000 FASJ H9 28
41 17 1 0 0 0 0 0 0 0 0 0 0 -0.146535 -3.977660 9.438880 1XA 0 0.10000 0.10000 FASJ H10 29
41 17 1 0 0 0 0 0 0 0 0 0 0 -0.685614 -4.462330 7.753790 1XA 0 0.10000 0.10000 FASJ H11 30
41 18 1 0 0 0 0 0 0 0 0 0 0 -2.484160 -4.401920 10.304700 1XA 0 0.10000 0.10000 FASJ H12 31
41 18 1 0 0 0 0 0 0 0 0 0 0 -3.025570 -4.878670 8.618460 1XA 0 0.10000 0.10000 FASJ H13 32
41 19 1 0 0 0 0 0 0 0 0 0 0 0.118399 6.723540 8.528750 1XA 0 0.00000 0.00000 FASJ H14 33
41 19 1 0 0 0 0 0 0 0 0 0 0 -1.042870 5.391830 8.581430 1XA 0 0.00000 0.00000 FASJ H15 34
41 19 1 0 0 0 0 0 0 0 0 0 0 0.427719 5.377310 9.632190 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 6.753170 1.644000 2.966510 1XA 0 -0.57000 -0.57000 FAXF O6 1
25 11 1 9 1 6 1 0 0 0 0 0 0 6.466310 1.644000 5.236210 1XA 0 -0.68540 -0.68540 FAXF N1 2
31 13 1 7 1 6 2 0 0 0 0 0 0 8.214220 1.644000 6.765510 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 4.541580 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 5.828440 1XA 0 -0.70680 -0.70680 FAXF N9 5
2 2 1 3 2 12 1 0 0 0 0 0 0 6.928680 1.644000 6.475780 1XA 0 0.55880 0.55880 FAXF C2 6
2 3 1 5 2 8 1 0 0 0 0 0 0 9.110030 1.644000 5.717970 1XA 0 0.58380 0.58380 FAXF C4 7
2 7 1 10 2 9 1 0 0 0 0 0 0 8.664270 1.644000 4.398330 1XA 0 -0.08600 -0.08600 FAXF C5 8
2 1 2 2 1 8 1 0 0 0 0 0 0 7.279410 1.644000 4.061680 1XA 0 1.03700 1.03700 FAXF C6 9
2 4 1 8 2 14 1 0 0 0 0 0 0 9.812870 1.644000 3.640420 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 5.078450 1XA 0 0.45000 0.45000 FAXF H1 11
41 6 1 0 0 0 0 0 0 0 0 0 0 6.218210 1.644000 7.293080 1XA 0 0.15000 0.15000 FAXF H2 12
44 3 1 0 0 0 0 0 0 0 0 0 0 8.593090 1.644000 7.705980 1XA 0 0.45000 0.45000 FAXF H3 13
41 10 1 0 0 0 0 0 0 0 0 0 0 9.992680 1.644000 2.572230 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 4.352710 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 2.977030 6.591030 -2.477680 1XA 0 1.57600 1.57600 FAXV S1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 4.080690 6.192850 -3.317480 1XA 0 -0.65000 -0.65000 FAXV O1 2
15 1 2 0 0 0 0 0 0 0 0 0 0 2.899730 7.919990 -1.919540 1XA 0 -0.65000 -0.65000 FAXV O2 3
15 13 2 0 0 0 0 0 0 0 0 0 0 1.388230 4.837140 0.491966 1XA 0 -0.57000 -0.57000 FAXV O3 4
25 1 1 15 1 7 1 0 0 0 0 0 0 1.583030 6.318390 -3.361480 1XA 0 -0.75700 -0.75700 FAXV N1 5
25 1 1 14 1 13 1 0 0 0 0 0 0 2.756580 5.483890 -1.250810 1XA 0 -0.73000 -0.73000 FAXV N2 6
2 5 1 12 1 8 2 0 0 0 0 0 0 0.374161 6.382250 -2.610780 1XA 0 0.19900 0.19900 FAXV C1 7
2 7 2 16 1 9 1 0 0 0 0 0 0 -0.791635 6.789810 -3.266740 1XA 0 -0.15000 -0.15000 FAXV C2 8
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2 9 2 18 1 11 1 0 0 0 0 0 0 -2.085590 6.333120 -1.277560 1XA 0 -0.15000 -0.15000 FAXV C4 10
2 10 1 19 1 12 2 0 0 0 0 0 0 -0.932076 5.882790 -0.634418 1XA 0 -0.15000 -0.15000 FAXV C5 11
2 7 1 11 2 13 1 0 0 0 0 0 0 0.301137 5.892140 -1.304520 1XA 0 0.08620 0.08620 FAXV C6 12
2 4 2 6 1 12 1 0 0 0 0 0 0 1.500430 5.371300 -0.605253 1XA 0 0.72010 0.72010 FAXV C7 13
3 6 1 22 1 21 1 20 1 0 0 0 0 3.987840 5.126700 -0.521686 1XA 0 0.35570 0.35570 FAXV C8 14
43 5 1 0 0 0 0 0 0 0 0 0 0 1.603530 6.871830 -4.217390 1XA 0 0.42000 0.42000 FAXV H1 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.761533 7.121640 -4.301350 1XA 0 0.15000 0.15000 FAXV H2 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -2.917950 7.113170 -3.103870 1XA 0 0.15000 0.15000 FAXV H3 17
41 10 1 0 0 0 0 0 0 0 0 0 0 -3.039470 6.321750 -0.754522 1XA 0 0.15000 0.15000 FAXV H4 18
41 11 1 0 0 0 0 0 0 0 0 0 0 -1.000020 5.515790 0.388585 1XA 0 0.15000 0.15000 FAXV H5 19
41 14 1 0 0 0 0 0 0 0 0 0 0 4.216230 5.888770 0.229268 1XA 0 0.00000 0.00000 FAXV H6 20
41 14 1 0 0 0 0 0 0 0 0 0 0 3.858190 4.163320 -0.017829 1XA 0 0.00000 0.00000 FAXV H7 21
41 14 1 0 0 0 0 0 0 0 0 0 0 4.842490 5.013730 -1.194310 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 4.839070 5.311050 8.120010 1XA 0 -0.21000 -0.21000 FAXV N1 1
2 1 1 11 1 3 2 0 0 0 0 0 0 4.701230 4.607320 9.269270 1XA 0 0.21100 0.21100 FAXV C2 2
2 2 2 12 1 4 1 0 0 0 0 0 0 3.472400 4.536920 9.914600 1XA 0 -0.15000 -0.15000 FAXV C3 3
2 3 1 13 1 5 2 0 0 0 0 0 0 2.380330 5.202720 9.374440 1XA 0 -0.15000 -0.15000 FAXV C4 4
2 4 2 14 1 6 1 0 0 0 0 0 0 2.537330 5.928390 8.201160 1XA 0 -0.15000 -0.15000 FAXV C5 5
2 1 2 5 1 15 1 0 0 0 0 0 0 3.783940 5.972740 7.587890 1XA 0 0.21100 0.21100 FAXV C6 6
3 1 1 17 1 16 1 8 1 0 0 0 0 6.166110 5.384650 7.461030 1XA 0 0.48800 0.48800 FAXV C7 7
3 7 1 19 1 18 1 9 1 0 0 0 0 6.466320 4.099820 6.694170 1XA 0 0.00000 0.00000 FAXV C8 8
3 8 1 21 1 20 1 10 1 0 0 0 0 5.552420 3.894720 5.485080 1XA 0 0.00000 0.00000 FAXV C9 9
3 9 1 24 1 23 1 22 1 0 0 0 0 5.952230 2.660900 4.690450 1XA 0 0.00000 0.00000 FAXV C10 10
41 2 1 0 0 0 0 0 0 0 0 0 0 5.580870 4.104070 9.660740 1XA 0 0.15000 0.15000 FAXV H2 11
41 3 1 0 0 0 0 0 0 0 0 0 0 3.366360 3.966940 10.835300 1XA 0 0.15000 0.15000 FAXV H3 12
41 4 1 0 0 0 0 0 0 0 0 0 0 1.409970 5.158000 9.867670 1XA 0 0.15000 0.15000 FAXV H4 13
41 5 1 0 0 0 0 0 0 0 0 0 0 1.691630 6.457560 7.766820 1XA 0 0.15000 0.15000 FAXV H5 14
41 6 1 0 0 0 0 0 0 0 0 0 0 3.945730 6.528840 6.668820 1XA 0 0.15000 0.15000 FAXV H6 15
41 7 1 0 0 0 0 0 0 0 0 0 0 6.905350 5.547490 8.253980 1XA 0 0.00000 0.00000 FAXV H71 16
41 7 1 0 0 0 0 0 0 0 0 0 0 6.185200 6.261810 6.805250 1XA 0 0.00000 0.00000 FAXV H72 17
41 8 1 0 0 0 0 0 0 0 0 0 0 6.388870 3.233220 7.361260 1XA 0 0.00000 0.00000 FAXV H81 18
41 8 1 0 0 0 0 0 0 0 0 0 0 7.507240 4.143280 6.350910 1XA 0 0.00000 0.00000 FAXV H82 19
41 9 1 0 0 0 0 0 0 0 0 0 0 5.595900 4.772930 4.830700 1XA 0 0.00000 0.00000 FAXV H91 20
41 9 1 0 0 0 0 0 0 0 0 0 0 4.512960 3.779910 5.810540 1XA 0 0.00000 0.00000 FAXV H92 21
41 10 1 0 0 0 0 0 0 0 0 0 0 5.284970 2.530040 3.832790 1XA 0 0.00000 0.00000 FAXV H101 22
41 10 1 0 0 0 0 0 0 0 0 0 0 6.975910 2.751370 4.313340 1XA 0 0.00000 0.00000 FAXV H102 23
41 10 1 0 0 0 0 0 0 0 0 0 0 5.891660 1.759660 5.308880 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 2.803230 3.293190 4.307080 1XA 0 -0.18100 -0.18100 FAXV C1 1
2 1 2 22 1 3 1 0 0 0 0 0 0 2.309280 2.154550 3.791560 1XA 0 -0.15000 -0.15000 FAXV C2 2
2 2 1 23 1 4 2 0 0 0 0 0 0 1.187990 1.508200 4.448230 1XA 0 -0.15000 -0.15000 FAXV C3 3
2 3 2 24 1 5 1 0 0 0 0 0 0 0.627956 2.033700 5.553110 1XA 0 -0.10500 -0.10500 FAXV C4 4
2 4 1 20 1 6 2 0 0 0 0 0 0 1.137740 3.245780 6.099630 1XA 0 0.14150 0.14150 FAXV C41 5
25 5 2 7 1 0 0 0 0 0 0 0 0 0.732921 3.946810 7.133940 1XA 0 -0.56530 -0.56530 FAXV N5 6
2 6 1 19 2 8 1 0 0 0 0 0 0 1.577080 5.018500 7.197130 1XA 0 0.22720 0.22720 FAXV C51 7
2 7 1 25 1 9 2 0 0 0 0 0 0 1.558880 6.079010 8.119770 1XA 0 -0.15000 -0.15000 FAXV C6 8
2 8 2 14 1 10 1 0 0 0 0 0 0 2.517140 7.103250 8.034960 1XA 0 -0.14350 -0.14350 FAXV C7 9
3 9 1 13 1 12 1 11 1 0 0 0 0 2.479500 8.258470 9.006740 1XA 0 1.16350 1.16350 FAXV C71 10
56 10 1 0 0 0 0 0 0 0 0 0 0 1.976960 7.918740 10.224400 1XA 0 -0.34000 -0.34000 FAXV F1 11
56 10 1 0 0 0 0 0 0 0 0 0 0 3.712650 8.784260 9.245020 1XA 0 -0.34000 -0.34000 FAXV F2 12
56 10 1 0 0 0 0 0 0 0 0 0 0 1.713650 9.286140 8.552420 1XA 0 -0.34000 -0.34000 FAXV F3 13
2 9 1 26 1 15 2 0 0 0 0 0 0 3.482760 7.052780 7.020300 1XA 0 -0.15000 -0.15000 FAXV C8 14
2 14 2 19 1 16 1 0 0 0 0 0 0 3.515670 5.988880 6.096530 1XA 0 0.13300 0.13300 FAXV C9 15
31 15 1 18 2 17 1 0 0 0 0 0 0 4.584010 6.008130 5.117600 1XA 0 0.90700 0.90700 FAXV N9 16
18 16 1 0 0 0 0 0 0 0 0 0 0 4.637340 6.985830 4.362020 1XA 0 -0.52000 -0.52000 FAXV O91 17
15 16 2 0 0 0 0 0 0 0 0 0 0 5.365410 5.049560 5.120390 1XA 0 -0.52000 -0.52000 FAXV O92 18
2 7 2 15 1 20 1 0 0 0 0 0 0 2.542500 4.978580 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 3.836870 5.463530 1XA 0 0.33420 0.33420 FAXV N10 20
41 1 1 0 0 0 0 0 0 0 0 0 0 3.634210 3.802820 3.841180 1XA 0 0.15000 0.15000 FAXV H1 21
41 2 1 0 0 0 0 0 0 0 0 0 0 2.725440 1.703370 2.896400 1XA 0 0.15000 0.15000 FAXV H2 22
41 3 1 0 0 0 0 0 0 0 0 0 0 0.809383 0.584796 4.019710 1XA 0 0.15000 0.15000 FAXV H3 23
41 4 1 0 0 0 0 0 0 0 0 0 0 -0.212419 1.557090 6.045390 1XA 0 0.15000 0.15000 FAXV H4 24
41 8 1 0 0 0 0 0 0 0 0 0 0 0.792690 6.089810 8.892370 1XA 0 0.15000 0.15000 FAXV H6 25
41 14 1 0 0 0 0 0 0 0 0 0 0 4.226650 7.849610 6.951520 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 0.817893 10.779700 1.476920 1XA 0 -0.33100 -0.33100 FAZB S1 1
18 3 1 0 0 0 0 0 0 0 0 0 0 0.569180 8.646440 3.085780 1XA 0 -0.85000 -0.85000 FAZB O1 2
2 1 1 2 1 4 2 0 0 0 0 0 0 0.374792 9.895680 3.004140 1XA 0 -0.04900 -0.04900 FAZB C1 3
2 3 2 5 1 6 1 0 0 0 0 0 0 -0.156054 10.694000 3.980970 1XA 0 0.13000 0.13000 FAZB C2 4
1 4 1 7 3 0 0 0 0 0 0 0 0 -0.362542 12.103400 3.856420 1XA 0 0.49210 0.49210 FAZB C3 5
1 4 1 8 3 0 0 0 0 0 0 0 0 -0.553813 10.139700 5.242060 1XA 0 0.49210 0.49210 FAZB C4 6
24 5 3 0 0 0 0 0 0 0 0 0 0 -0.554076 13.251200 3.814140 1XA 0 -0.55710 -0.55710 FAZB N3 7
24 6 3 0 0 0 0 0 0 0 0 0 0 -0.907412 9.792460 6.296340 1XA 0 -0.55710 -0.55710 FAZB N4 8
3 1 1 10 1 11 1 12 1 0 0 0 0 1.468520 9.444810 0.443318 1XA 0 0.23000 0.23000 FAZB C5 9
41 9 1 0 0 0 0 0 0 0 0 0 0 2.348570 8.984140 0.900933 1XA 0 0.00000 0.00000 FAZB H1 10
41 9 1 0 0 0 0 0 0 0 0 0 0 0.704772 8.685900 0.251372 1XA 0 0.00000 0.00000 FAZB H2 11
41 9 1 0 0 0 0 0 0 0 0 0 0 1.772680 9.865470 -0.519524 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 5.368070 0.272072 3.254790 1XA 0 -0.14000 -0.14000 UNCH CL1 1
57 5 1 0 0 0 0 0 0 0 0 0 0 5.260240 0.067766 -1.221310 1XA 0 -0.37010 -0.37010 UNCH CL2 2
57 5 1 0 0 0 0 0 0 0 0 0 0 6.793840 2.834200 -0.135123 1XA 0 -0.37010 -0.37010 UNCH CL3 3
57 5 1 0 0 0 0 0 0 0 0 0 0 3.761080 2.084120 0.908573 1XA 0 -0.37010 -0.37010 UNCH CL4 4
60 2 1 3 1 4 1 6 1 0 0 0 0 5.555400 1.304490 0.360819 1XA 0 1.33930 1.33930 UNCH SI1 5
2 1 1 5 1 7 2 0 0 0 0 0 0 6.337030 0.324599 1.752930 1XA 0 -0.08900 -0.08900 UNCH C1 6
2 6 2 8 1 9 1 0 0 0 0 0 0 7.537970 -0.324599 1.710770 1XA 0 -0.08900 -0.08900 UNCH C1B 7
57 7 1 0 0 0 0 0 0 0 0 0 0 8.506930 -0.272072 0.208907 1XA 0 -0.14000 -0.14000 UNCH CL1B 8
60 7 1 10 1 11 1 12 1 0 0 0 0 8.319600 -1.304490 3.102880 1XA 0 1.33930 1.33930 UNCH SI1B 9
57 9 1 0 0 0 0 0 0 0 0 0 0 8.614760 -0.067766 4.685010 1XA 0 -0.37010 -0.37010 UNCH CL2B 10
57 9 1 0 0 0 0 0 0 0 0 0 0 7.081160 -2.834200 3.598820 1XA 0 -0.37010 -0.37010 UNCH CL3B 11
57 9 1 0 0 0 0 0 0 0 0 0 0 10.113900 -2.084120 2.555130 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 3.221530 1.352660 1.648740 1XA 0 0.10000 0.10000 FBAT C1 1
3 22 1 14 1 13 1 8 1 0 0 0 0 4.920820 1.754060 -1.009280 1XA 0 0.00000 0.00000 FBAT C2 2
2 1 1 24 1 4 2 0 0 0 0 0 0 4.192230 0.525165 2.257080 1XA 0 0.13300 0.13300 FBAT C3 3
2 3 2 12 1 5 1 0 0 0 0 0 0 3.879730 -0.646160 2.982440 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 1.534030 -0.212280 2.623550 1XA 0 -0.15000 -0.15000 FBAT C6 6
2 1 2 6 1 26 1 0 0 0 0 0 0 1.886550 0.950635 1.908430 1XA 0 0.13300 0.13300 FBAT C7 7
3 2 1 23 1 10 1 9 1 0 0 0 0 3.661880 2.513360 -0.578438 1XA 0 0.36910 0.36910 FBAT C8 8
3 8 1 18 1 17 1 16 1 0 0 0 0 2.450990 1.923580 -1.316270 1XA 0 0.00000 0.00000 FBAT C9 9
3 8 1 21 1 20 1 19 1 0 0 0 0 3.800390 3.987700 -1.012660 1XA 0 0.00000 0.00000 FBAT C10 10
56 23 1 0 0 0 0 0 0 0 0 0 0 4.652050 3.095250 1.454490 1XA 0 -0.05300 -0.05300 FBAT F1 11
41 4 1 0 0 0 0 0 0 0 0 0 0 4.682600 -1.245160 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 2.143030 -0.513190 1XA 0 0.00000 0.00000 FBAT H2 13
41 2 1 0 0 0 0 0 0 0 0 0 0 5.084860 1.845570 -2.089560 1XA 0 0.00000 0.00000 FBAT H3 14
41 6 1 0 0 0 0 0 0 0 0 0 0 0.483192 -0.462404 2.774380 1XA 0 0.15000 0.15000 FBAT H4 15
41 9 1 0 0 0 0 0 0 0 0 0 0 1.538910 2.489830 -1.102650 1XA 0 0.00000 0.00000 FBAT H5 16
41 9 1 0 0 0 0 0 0 0 0 0 0 2.599580 1.954220 -2.402310 1XA 0 0.00000 0.00000 FBAT H6 17
41 9 1 0 0 0 0 0 0 0 0 0 0 2.278900 0.876668 -1.045230 1XA 0 0.00000 0.00000 FBAT H7 18
41 10 1 0 0 0 0 0 0 0 0 0 0 4.680610 4.458220 -0.559773 1XA 0 0.00000 0.00000 FBAT H8 19
41 10 1 0 0 0 0 0 0 0 0 0 0 2.924900 4.572410 -0.706634 1XA 0 0.00000 0.00000 FBAT H9 20
41 10 1 0 0 0 0 0 0 0 0 0 0 3.900890 4.076130 -2.100360 1XA 0 0.00000 0.00000 FBAT H10 21
41 2 1 0 0 0 0 0 0 0 0 0 0 4.836580 0.685207 -0.789496 1XA 0 0.00000 0.00000 FBAT H11 22
25 1 1 8 1 11 1 0 0 0 0 0 0 3.463330 2.510240 0.898113 1XA 0 -0.41610 -0.41610 FBAT N1 23
31 3 1 28 2 27 1 0 0 0 0 0 0 5.608860 0.828528 2.212480 1XA 0 0.90700 0.90700 FBAT N2 24
31 5 1 30 2 29 1 0 0 0 0 0 0 2.205330 -2.227730 3.900600 1XA 0 0.90700 0.90700 FBAT N3 25
31 7 1 32 2 31 1 0 0 0 0 0 0 0.770957 1.788310 1.492940 1XA 0 0.90700 0.90700 FBAT N4 26
18 24 1 0 0 0 0 0 0 0 0 0 0 6.272470 0.250037 1.343890 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 3.108190 1XA 0 -0.52000 -0.52000 FBAT O2 28
18 25 1 0 0 0 0 0 0 0 0 0 0 3.141570 -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 1.005350 -2.477140 4.069070 1XA 0 -0.52000 -0.52000 FBAT O4 30
18 26 1 0 0 0 0 0 0 0 0 0 0 -0.065482 1.260980 0.747694 1XA 0 -0.52000 -0.52000 FBAT O5 31
15 26 2 0 0 0 0 0 0 0 0 0 0 0.714062 2.934970 1.950210 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 4.828910 2.979070 4.246580 1XA 0 0.39000 0.39000 UNCH C1 1
2 1 1 3 1 12 2 0 0 0 0 0 0 3.349740 2.878910 4.413750 1XA 0 0.55560 0.55560 UNCH C2 2
2 2 1 4 1 6 2 0 0 0 0 0 0 2.789520 1.511890 4.651970 1XA 0 0.01440 0.01440 UNCH C3 3
2 3 1 5 2 14 1 0 0 0 0 0 0 3.352860 0.758832 5.758870 1XA 0 -0.15000 -0.15000 UNCH C4 4
2 4 2 10 1 15 1 0 0 0 0 0 0 4.435970 1.099120 6.470710 1XA 0 -0.05000 -0.05000 UNCH C5 5
2 3 2 7 1 8 1 0 0 0 0 0 0 1.752740 1.094050 3.879990 1XA 0 -0.27640 -0.27640 UNCH C6 6
3 6 1 16 1 17 1 18 1 0 0 0 0 1.195840 1.891790 2.717140 1XA 0 0.13820 0.13820 UNCH C7 7
3 6 1 19 1 20 1 21 1 0 0 0 0 1.018020 -0.217637 4.043230 1XA 0 0.13820 0.13820 UNCH C8 8
3 10 1 22 1 23 1 24 1 0 0 0 0 6.401620 2.303300 7.340680 1XA 0 0.36910 0.36910 UNCH C9 9
25 5 1 9 1 11 1 0 0 0 0 0 0 5.341300 2.141830 6.332640 1XA 0 -0.42710 -0.42710 UNCH N1 10
25 1 2 10 1 0 0 0 0 0 0 0 0 5.727280 2.646450 5.118270 1XA 0 -0.49200 -0.49200 UNCH N2 11
15 2 2 0 0 0 0 0 0 0 0 0 0 2.680380 3.895740 4.280770 1XA 0 -0.57000 -0.57000 UNCH O1 12
41 1 1 0 0 0 0 0 0 0 0 0 0 5.141220 3.392320 3.275480 1XA 0 0.06000 0.06000 UNCH H1 13
41 4 1 0 0 0 0 0 0 0 0 0 0 2.827680 -0.130322 6.089400 1XA 0 0.15000 0.15000 UNCH H4 14
41 5 1 0 0 0 0 0 0 0 0 0 0 4.678130 0.476584 7.331640 1XA 0 0.15000 0.15000 UNCH H5 15
41 7 1 0 0 0 0 0 0 0 0 0 0 1.899420 2.623910 2.312790 1XA 0 0.00000 0.00000 UNCH H71 16
41 7 1 0 0 0 0 0 0 0 0 0 0 0.279774 2.408520 3.020420 1XA 0 0.00000 0.00000 UNCH H72 17
41 7 1 0 0 0 0 0 0 0 0 0 0 0.951042 1.226040 1.881480 1XA 0 0.00000 0.00000 UNCH H73 18
41 8 1 0 0 0 0 0 0 0 0 0 0 1.361100 -0.832788 4.875520 1XA 0 0.00000 0.00000 UNCH H81 19
41 8 1 0 0 0 0 0 0 0 0 0 0 1.125250 -0.821920 3.135670 1XA 0 0.00000 0.00000 UNCH H82 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.048814 -0.027108 4.204320 1XA 0 0.00000 0.00000 UNCH H83 21
41 9 1 0 0 0 0 0 0 0 0 0 0 5.992580 2.209370 8.352690 1XA 0 0.00000 0.00000 UNCH H91 22
41 9 1 0 0 0 0 0 0 0 0 0 0 6.860120 3.295500 7.263050 1XA 0 0.00000 0.00000 UNCH H92 23
41 9 1 0 0 0 0 0 0 0 0 0 0 7.179960 1.545350 7.201560 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 -0.677776 1.157200 7.780260 1XA 0 1.24240 1.24240 UNCH P1 1
16 1 1 11 1 0 0 0 0 0 0 0 0 0.856464 1.019620 7.334390 1XA 0 -0.77120 -0.77120 UNCH O1 2
16 1 1 12 1 0 0 0 0 0 0 0 0 -1.388540 0.464166 6.519030 1XA 0 -0.77120 -0.77120 UNCH O2 3
18 1 1 0 0 0 0 0 0 0 0 0 0 -1.123250 2.565990 7.978750 1XA 0 -0.70000 -0.70000 UNCH O3 4
15 10 2 0 0 0 0 0 0 0 0 0 0 -4.077310 0.698516 10.456200 1XA 0 -0.57000 -0.57000 UNCH O4 5
25 7 1 10 1 14 1 0 0 0 0 0 0 -2.315750 -0.276221 9.336410 1XA 0 -0.73010 -0.73010 UNCH N1 6
3 1 1 6 1 8 1 13 1 0 0 0 0 -0.913027 0.012702 9.153020 1XA 0 0.30010 0.30010 UNCH C1 7
3 7 1 9 1 15 1 16 1 0 0 0 0 -0.514013 0.576686 10.505900 1XA 0 0.00000 0.00000 UNCH C2 8
3 8 1 10 1 17 1 18 1 0 0 0 0 -1.773190 1.297140 10.987500 1XA 0 0.06100 0.06100 UNCH C3 9
2 5 2 6 1 9 1 0 0 0 0 0 0 -2.881310 0.565256 10.273000 1XA 0 0.56900 0.56900 UNCH C4 10
42 2 1 0 0 0 0 0 0 0 0 0 0 1.260640 0.139186 7.440940 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 5.768510 1XA 0 0.50000 0.50000 UNCH H2 12
41 7 1 0 0 0 0 0 0 0 0 0 0 -0.396481 -0.926819 8.934970 1XA 0 0.00000 0.00000 UNCH H3 13
43 6 1 0 0 0 0 0 0 0 0 0 0 -2.916090 -0.652640 8.609470 1XA 0 0.37000 0.37000 UNCH H4 14
41 8 1 0 0 0 0 0 0 0 0 0 0 0.354478 1.239490 10.459500 1XA 0 0.00000 0.00000 UNCH H5 15
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.283381 -0.242267 11.198700 1XA 0 0.00000 0.00000 UNCH H6 16
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.780740 2.346220 10.678900 1XA 0 0.00000 0.00000 UNCH H7 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.890720 1.221750 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 0.675974 2.676220 0.891259 1XA 0 -0.08000 -0.08000 UNCH C1 1
3 1 1 3 1 5 1 8 1 0 0 0 0 0.191911 3.485840 1.942800 1XA 0 -0.06000 -0.06000 UNCH C2 2
3 1 1 2 1 9 1 10 1 0 0 0 0 1.697180 3.028010 1.791930 1XA 0 -0.16000 -0.16000 UNCH C3 3
2 1 2 11 1 12 1 0 0 0 0 0 0 0.392619 2.027890 -0.217280 1XA 0 -0.30000 -0.30000 UNCH C4 4
2 2 1 6 2 7 1 0 0 0 0 0 0 -0.623479 2.863400 3.003690 1XA 0 0.63000 0.63000 UNCH C5 5
15 5 2 0 0 0 0 0 0 0 0 0 0 -0.244775 2.823020 4.165640 1XA 0 -0.57000 -0.57000 UNCH O1 6
25 5 1 13 1 14 1 0 0 0 0 0 0 -1.830610 2.369890 2.609990 1XA 0 -0.80000 -0.80000 UNCH N1 7
41 2 1 0 0 0 0 0 0 0 0 0 0 -0.024411 4.523440 1.724050 1XA 0 0.10000 0.10000 UNCH H1 8
41 3 1 0 0 0 0 0 0 0 0 0 0 2.063830 2.259480 2.459450 1XA 0 0.10000 0.10000 UNCH H2 9
41 3 1 0 0 0 0 0 0 0 0 0 0 2.417600 3.766040 1.468910 1XA 0 0.10000 0.10000 UNCH H3 10
41 4 1 0 0 0 0 0 0 0 0 0 0 -0.611685 2.013450 -0.624142 1XA 0 0.15000 0.15000 UNCH H4 11
41 4 1 0 0 0 0 0 0 0 0 0 0 1.165820 1.492090 -0.758142 1XA 0 0.15000 0.15000 UNCH H5 12
43 7 1 0 0 0 0 0 0 0 0 0 0 -2.077970 2.289560 1.634890 1XA 0 0.37000 0.37000 UNCH H6 13
43 7 1 0 0 0 0 0 0 0 0 0 0 -2.371330 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 0.964715 5.881010 0.417047 1XA 0 -0.57000 -0.57000 UNCH O1 1
2 1 2 3 1 5 1 0 0 0 0 0 0 0.775867 5.448090 -0.697859 1XA 0 0.70100 0.70100 UNCH C1 2
2 2 1 4 1 6 2 0 0 0 0 0 0 1.130470 4.235960 -1.433580 1XA 0 -0.17500 -0.17500 UNCH C2 3
3 3 1 5 1 8 1 16 1 0 0 0 0 0.065321 4.640480 -2.444570 1XA 0 0.36300 0.36300 UNCH C3 4
25 2 1 4 1 15 1 0 0 0 0 0 0 0.045302 5.922390 -1.736710 1XA 0 -0.65500 -0.65500 UNCH N1 5
1 3 2 7 2 0 0 0 0 0 0 0 0 1.872060 3.208710 -1.218280 1XA 0 -0.09900 -0.09900 UNCH C4 6
2 6 2 17 1 18 1 0 0 0 0 0 0 2.622010 2.173520 -0.995106 1XA 0 -0.23500 -0.23500 UNCH C5 7
3 4 1 9 1 19 1 20 1 0 0 0 0 -1.259100 3.876620 -2.366830 1XA 0 0.14350 0.14350 UNCH C6 8
2 8 1 10 2 14 1 0 0 0 0 0 0 -2.336380 4.592160 -3.147770 1XA 0 -0.14350 -0.14350 UNCH C7 9
2 9 2 11 1 21 1 0 0 0 0 0 0 -2.356580 4.538210 -4.548420 1XA 0 -0.15000 -0.15000 UNCH C8 10
2 10 1 12 2 22 1 0 0 0 0 0 0 -3.342430 5.215220 -5.267820 1XA 0 -0.15000 -0.15000 UNCH C9 11
2 11 2 13 1 23 1 0 0 0 0 0 0 -4.316640 5.950700 -4.595810 1XA 0 -0.15000 -0.15000 UNCH C10 12
2 12 1 14 2 24 1 0 0 0 0 0 0 -4.307900 6.008540 -3.203670 1XA 0 -0.15000 -0.15000 UNCH C11 13
2 9 1 13 2 25 1 0 0 0 0 0 0 -3.323120 5.332730 -2.481690 1XA 0 -0.15000 -0.15000 UNCH C12 14
43 5 1 0 0 0 0 0 0 0 0 0 0 -0.750194 6.501240 -1.511040 1XA 0 0.37000 0.37000 UNCH H1 15
41 4 1 0 0 0 0 0 0 0 0 0 0 0.433183 4.759000 -3.471830 1XA 0 0.00000 0.00000 UNCH H2 16
41 7 1 0 0 0 0 0 0 0 0 0 0 2.919640 1.517100 -1.804480 1XA 0 0.15000 0.15000 UNCH H3 17
41 7 1 0 0 0 0 0 0 0 0 0 0 2.982670 1.961000 0.005272 1XA 0 0.15000 0.15000 UNCH H4 18
41 8 1 0 0 0 0 0 0 0 0 0 0 -1.583450 3.740580 -1.326540 1XA 0 0.00000 0.00000 UNCH H5 19
41 8 1 0 0 0 0 0 0 0 0 0 0 -1.134520 2.866850 -2.778480 1XA 0 0.00000 0.00000 UNCH H6 20
41 10 1 0 0 0 0 0 0 0 0 0 0 -1.605650 3.967280 -5.090190 1XA 0 0.15000 0.15000 UNCH H7 21
41 11 1 0 0 0 0 0 0 0 0 0 0 -3.351400 5.168050 -6.353800 1XA 0 0.15000 0.15000 UNCH H8 22
41 12 1 0 0 0 0 0 0 0 0 0 0 -5.084730 6.476380 -5.157150 1XA 0 0.15000 0.15000 UNCH H9 23
41 13 1 0 0 0 0 0 0 0 0 0 0 -5.071120 6.578470 -2.679770 1XA 0 0.15000 0.15000 UNCH H10 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -3.336930 5.384900 -1.395030 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 0.032410 0.769419 8.342250 1XA 0 -0.95900 -0.95900 CHGB N1 1
3 1 1 9 1 10 1 20 1 0 0 0 0 -0.304334 1.243880 9.752550 1XA 0 0.50300 0.50300 CHGB C1 2
3 1 1 11 1 12 1 21 1 0 0 0 0 -1.085760 1.071360 7.348360 1XA 0 0.50300 0.50300 CHGB C2 3
3 1 1 5 1 13 1 14 1 0 0 0 0 1.360180 1.336070 7.845290 1XA 0 0.59800 0.59800 CHGB C3 4
3 4 1 6 1 7 1 15 1 0 0 0 0 2.545020 0.875886 8.629800 1XA 0 -0.19500 -0.19500 CHGB C4 5
3 5 1 7 1 16 1 17 1 0 0 0 0 3.087730 1.676800 9.788880 1XA 0 -0.20000 -0.20000 CHGB C5 6
3 5 1 6 1 18 1 19 1 0 0 0 0 3.854030 1.612720 8.497560 1XA 0 -0.20000 -0.20000 CHGB C6 7
44 1 1 0 0 0 0 0 0 0 0 0 0 0.183467 -0.250569 8.365440 1XA 0 0.45000 0.45000 CHGB H1 8
41 2 1 0 0 0 0 0 0 0 0 0 0 0.489421 0.897297 10.419400 1XA 0 0.00000 0.00000 CHGB H2 9
41 2 1 0 0 0 0 0 0 0 0 0 0 -0.323922 2.338820 9.728410 1XA 0 0.00000 0.00000 CHGB H3 10
41 3 1 0 0 0 0 0 0 0 0 0 0 -0.802756 0.620013 6.392170 1XA 0 0.00000 0.00000 CHGB H4 11
41 3 1 0 0 0 0 0 0 0 0 0 0 -1.135100 2.160920 7.243620 1XA 0 0.00000 0.00000 CHGB H5 12
41 4 1 0 0 0 0 0 0 0 0 0 0 1.260200 2.427880 7.844610 1XA 0 0.00000 0.00000 CHGB H6 13
41 4 1 0 0 0 0 0 0 0 0 0 0 1.469330 0.996284 6.809260 1XA 0 0.00000 0.00000 CHGB H7 14
41 5 1 0 0 0 0 0 0 0 0 0 0 2.622450 -0.206297 8.669970 1XA 0 0.10000 0.10000 CHGB H8 15
41 6 1 0 0 0 0 0 0 0 0 0 0 3.511310 1.145930 10.637200 1XA 0 0.10000 0.10000 CHGB H9 16
41 6 1 0 0 0 0 0 0 0 0 0 0 2.655180 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 4.774530 1.034570 8.486180 1XA 0 0.10000 0.10000 CHGB H11 18
41 7 1 0 0 0 0 0 0 0 0 0 0 3.910340 2.515140 7.896800 1XA 0 0.10000 0.10000 CHGB H12 19
3 2 1 22 1 23 1 24 1 0 0 0 0 -1.664760 0.680033 10.231400 1XA 0 0.50300 0.50300 CHGB C2B 20
3 3 1 22 1 25 1 26 1 0 0 0 0 -2.446190 0.507509 7.827260 1XA 0 0.50300 0.50300 CHGB C1B 21
32 20 1 21 1 27 1 28 1 0 0 0 0 -2.782930 0.981971 9.237550 1XA 0 -0.95900 -0.95900 CHGB N1B 22
41 20 1 0 0 0 0 0 0 0 0 0 0 -1.947770 1.131380 11.187600 1XA 0 0.00000 0.00000 CHGB H4B 23
41 20 1 0 0 0 0 0 0 0 0 0 0 -1.615420 -0.409529 10.336200 1XA 0 0.00000 0.00000 CHGB H5B 24
41 21 1 0 0 0 0 0 0 0 0 0 0 -3.239940 0.854094 7.160450 1XA 0 0.00000 0.00000 CHGB H2B 25
41 21 1 0 0 0 0 0 0 0 0 0 0 -2.426600 -0.587432 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 0.415317 9.734510 1XA 0 0.59800 0.59800 CHGB C3B 27
44 22 1 0 0 0 0 0 0 0 0 0 0 -2.933990 2.001960 9.214360 1XA 0 0.45000 0.45000 CHGB H1B 28
3 27 1 32 1 33 1 34 1 0 0 0 0 -5.295540 0.875504 8.950000 1XA 0 -0.19500 -0.19500 CHGB C4B 29
41 27 1 0 0 0 0 0 0 0 0 0 0 -4.010720 -0.676491 9.735190 1XA 0 0.00000 0.00000 CHGB H6B 30
41 27 1 0 0 0 0 0 0 0 0 0 0 -4.219860 0.755106 10.770500 1XA 0 0.00000 0.00000 CHGB H7B 31
3 29 1 33 1 35 1 36 1 0 0 0 0 -5.838250 0.074589 7.790930 1XA 0 -0.20000 -0.20000 CHGB C5B 32
3 29 1 32 1 37 1 38 1 0 0 0 0 -6.604550 0.138667 9.082240 1XA 0 -0.20000 -0.20000 CHGB C6B 33
41 29 1 0 0 0 0 0 0 0 0 0 0 -5.372970 1.957690 8.909830 1XA 0 0.10000 0.10000 CHGB H8B 34
41 32 1 0 0 0 0 0 0 0 0 0 0 -6.261830 0.605462 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 -0.885310 7.530290 1XA 0 0.10000 0.10000 CHGB H10B 36
41 33 1 0 0 0 0 0 0 0 0 0 0 -7.525050 0.716822 9.093620 1XA 0 0.10000 0.10000 CHGB H11B 37
41 33 1 0 0 0 0 0 0 0 0 0 0 -6.660870 -0.763748 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 2.271640 1.821230 2.589990 1XA 0 -0.38000 -0.38000 UNCH S1 1
16 6 1 9 1 0 0 0 0 0 0 0 0 5.948650 1.279990 1.227570 1XA 0 -0.28000 -0.28000 UNCH O1 2
16 11 1 16 1 0 0 0 0 0 0 0 0 2.555260 1.061960 -2.025350 1XA 0 -0.68000 -0.68000 UNCH O2 3
25 5 1 10 1 15 1 0 0 0 0 0 0 3.509220 0.415929 0.621977 1XA 0 -0.73010 -0.73010 UNCH N1 4
2 1 2 4 1 6 1 0 0 0 0 0 0 3.577360 1.281360 1.695420 1XA 0 0.52500 0.52500 UNCH C1 5
2 2 1 5 1 7 2 0 0 0 0 0 0 4.918020 1.729520 2.023010 1XA 0 0.05500 0.05500 UNCH C2 6
2 6 2 8 1 12 1 0 0 0 0 0 0 5.447200 2.555540 3.002580 1XA 0 -0.15000 -0.15000 UNCH C3 7
2 7 1 9 2 13 1 0 0 0 0 0 0 6.847110 2.607770 2.795430 1XA 0 -0.15000 -0.15000 UNCH C4 8
2 2 1 8 2 14 1 0 0 0 0 0 0 7.100300 1.814880 1.704040 1XA 0 -0.01000 -0.01000 UNCH C5 9
3 4 1 11 1 17 1 18 1 0 0 0 0 2.316320 -0.190581 0.034887 1XA 0 0.30010 0.30010 UNCH C6 10
3 3 1 10 1 19 1 20 1 0 0 0 0 1.642120 0.733419 -0.979415 1XA 0 0.28000 0.28000 UNCH C7 11
41 7 1 0 0 0 0 0 0 0 0 0 0 4.888620 3.062080 3.778500 1XA 0 0.15000 0.15000 UNCH H1 12
41 8 1 0 0 0 0 0 0 0 0 0 0 7.579250 3.155970 3.371770 1XA 0 0.15000 0.15000 UNCH H2 13
41 9 1 0 0 0 0 0 0 0 0 0 0 8.000070 1.542530 1.169590 1XA 0 0.15000 0.15000 UNCH H3 14
43 4 1 0 0 0 0 0 0 0 0 0 0 4.401320 0.178226 0.195268 1XA 0 0.37000 0.37000 UNCH H4 15
42 3 1 0 0 0 0 0 0 0 0 0 0 3.288480 1.542180 -1.600120 1XA 0 0.40000 0.40000 UNCH H5 16
41 10 1 0 0 0 0 0 0 0 0 0 0 1.615310 -0.473648 0.825285 1XA 0 0.00000 0.00000 UNCH H6 17
41 10 1 0 0 0 0 0 0 0 0 0 0 2.659620 -1.102040 -0.466163 1XA 0 0.00000 0.00000 UNCH H7 18
41 11 1 0 0 0 0 0 0 0 0 0 0 1.298840 1.665620 -0.521334 1XA 0 0.00000 0.00000 UNCH H8 19
41 11 1 0 0 0 0 0 0 0 0 0 0 0.779107 0.233647 -1.429170 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 6.719720 3.612790 2.766440 1XA 0 0.11700 0.11700 FELY C1 1
2 1 1 15 1 3 2 0 0 0 0 0 0 5.890810 2.692220 3.420900 1XA 0 -0.15000 -0.15000 FELY C2 2
2 2 2 16 1 4 1 0 0 0 0 0 0 4.491780 2.792720 3.358130 1XA 0 -0.15000 -0.15000 FELY C3 3
2 3 1 7 1 5 2 0 0 0 0 0 0 3.890040 3.823240 2.633770 1XA 0 0.08620 0.08620 FELY C4 4
2 4 2 17 1 6 1 0 0 0 0 0 0 4.703580 4.748710 1.974540 1XA 0 -0.15000 -0.15000 FELY C5 5
2 1 2 5 1 18 1 0 0 0 0 0 0 6.098890 4.643500 2.041570 1XA 0 -0.15000 -0.15000 FELY C6 6
2 4 1 9 1 8 2 0 0 0 0 0 0 2.408170 3.974180 2.534330 1XA 0 0.42280 0.42280 FELY C7 7
15 7 2 0 0 0 0 0 0 0 0 0 0 1.930070 4.862940 1.832160 1XA 0 -0.57000 -0.57000 FELY O1 8
3 7 1 21 1 20 1 19 1 0 0 0 0 1.524520 3.023890 3.299080 1XA 0 0.06100 0.06100 FELY C8 9
25 1 1 12 1 11 1 0 0 0 0 0 0 8.139220 3.527410 2.806220 1XA 0 -0.14150 -0.14150 FELY N1 10
16 10 1 22 1 0 0 0 0 0 0 0 0 8.825040 4.532510 2.081190 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 3.583150 1XA 0 0.56900 0.56900 FELY C9 12
15 12 2 0 0 0 0 0 0 0 0 0 0 8.516110 1.774270 4.305130 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 6.300620 1.865350 3.994300 1XA 0 0.15000 0.15000 FELY H1 15
41 3 1 0 0 0 0 0 0 0 0 0 0 3.904160 2.046460 3.885540 1XA 0 0.15000 0.15000 FELY H2 16
41 5 1 0 0 0 0 0 0 0 0 0 0 4.258630 5.564640 1.406780 1XA 0 0.15000 0.15000 FELY H3 17
41 6 1 0 0 0 0 0 0 0 0 0 0 6.686710 5.399040 1.525460 1XA 0 0.15000 0.15000 FELY H4 18
41 9 1 0 0 0 0 0 0 0 0 0 0 1.746300 3.075140 4.368210 1XA 0 0.00000 0.00000 FELY H5 19
41 9 1 0 0 0 0 0 0 0 0 0 0 0.478564 3.314170 3.158440 1XA 0 0.00000 0.00000 FELY H6 20
41 9 1 0 0 0 0 0 0 0 0 0 0 1.649600 2.005630 2.922120 1XA 0 0.00000 0.00000 FELY H7 21
42 11 1 0 0 0 0 0 0 0 0 0 0 8.859620 4.127750 1.194510 1XA 0 0.40000 0.40000 FELY H8 22
41 14 1 0 0 0 0 0 0 0 0 0 0 10.752600 2.808360 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 3.946310 3.841750 1XA 0 0.00000 0.00000 FELY H10 24
41 14 1 0 0 0 0 0 0 0 0 0 0 10.946400 2.220980 4.117090 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 5.554860 2.634650 4.275340 1XA 0 -0.90000 -0.90000 FEMG O1 1
18 12 1 0 0 0 0 0 0 0 0 0 0 6.859760 1.573880 5.780210 1XA 0 -0.90000 -0.90000 FEMG O2 2
3 4 1 10 1 11 1 13 1 0 0 0 0 4.170300 0.794401 6.939220 1XA 0 -0.06000 -0.06000 FEMG C1 3
2 3 1 5 2 14 1 0 0 0 0 0 0 3.905230 -0.537672 7.493040 1XA 0 -0.19000 -0.19000 FEMG C2 4
2 4 2 6 1 15 1 0 0 0 0 0 0 2.792430 -1.058560 8.033760 1XA 0 -0.28820 -0.28820 FEMG C3 5
3 5 1 7 1 16 1 17 1 0 0 0 0 1.428070 -0.470151 8.262630 1XA 0 0.13820 0.13820 FEMG C4 6
3 6 1 8 1 18 1 19 1 0 0 0 0 1.125160 0.971781 7.852980 1XA 0 0.00000 0.00000 FEMG C5 7
3 7 1 9 1 20 1 21 1 0 0 0 0 0.876210 1.182730 6.354600 1XA 0 0.00000 0.00000 FEMG C6 8
3 8 1 10 1 22 1 23 1 0 0 0 0 2.033140 0.800349 5.434060 1XA 0 0.09500 0.09500 FEMG C7 9
3 3 1 9 1 11 1 24 1 0 0 0 0 3.311130 1.429490 5.880750 1XA 0 -0.19500 -0.19500 FEMG C8 10
3 3 1 10 1 12 1 25 1 0 0 0 0 4.649670 0.838259 5.490130 1XA 0 -0.24700 -0.24700 FEMG C9 11
2 1 2 2 1 11 1 0 0 0 0 0 0 5.762670 1.748070 5.162310 1XA 0 0.94700 0.94700 FEMG C10 12
41 3 1 0 0 0 0 0 0 0 0 0 0 4.671690 1.464910 7.633310 1XA 0 0.10000 0.10000 FEMG H4 13
41 4 1 0 0 0 0 0 0 0 0 0 0 4.776840 -1.193100 7.455010 1XA 0 0.15000 0.15000 FEMG H5 14
41 5 1 0 0 0 0 0 0 0 0 0 0 2.873650 -2.090920 8.374550 1XA 0 0.15000 0.15000 FEMG H6 15
41 6 1 0 0 0 0 0 0 0 0 0 0 1.242700 -0.544359 9.342630 1XA 0 0.00000 0.00000 FEMG H7 16
41 6 1 0 0 0 0 0 0 0 0 0 0 0.692930 -1.132020 7.787270 1XA 0 0.00000 0.00000 FEMG H8 17
41 7 1 0 0 0 0 0 0 0 0 0 0 0.206956 1.277200 8.372710 1XA 0 0.00000 0.00000 FEMG H9 18
41 7 1 0 0 0 0 0 0 0 0 0 0 1.903210 1.650510 8.220270 1XA 0 0.00000 0.00000 FEMG H10 19
41 8 1 0 0 0 0 0 0 0 0 0 0 0.640782 2.244070 6.202170 1XA 0 0.00000 0.00000 FEMG H11 20
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.016980 0.623620 6.050090 1XA 0 0.00000 0.00000 FEMG H12 21
41 9 1 0 0 0 0 0 0 0 0 0 0 2.115690 -0.290067 5.363270 1XA 0 0.00000 0.00000 FEMG H13 22
41 9 1 0 0 0 0 0 0 0 0 0 0 1.805590 1.148340 4.419150 1XA 0 0.00000 0.00000 FEMG H14 23
41 10 1 0 0 0 0 0 0 0 0 0 0 3.246050 2.514360 5.868400 1XA 0 0.10000 0.10000 FEMG H15 24
41 11 1 0 0 0 0 0 0 0 0 0 0 4.622810 -0.086909 4.925940 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 6.987790 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 7.677820 2.055550 1XA 0 -0.63300 -0.63300 FENC O2 2
16 12 1 6 1 0 0 0 0 0 0 0 0 1.621500 1.210380 3.890570 1XA 0 -0.33700 -0.33700 FENC O3 3
31 1 1 2 1 7 2 0 0 0 0 0 0 1.621500 6.698510 2.833380 1XA 0 0.95300 0.95300 FENC N1 4
25 1 1 8 2 0 0 0 0 0 0 0 0 1.621500 5.777780 4.915060 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 3.408170 1XA 0 -0.51300 -0.51300 FENC N3 6
2 4 2 9 1 8 1 0 0 0 0 0 0 1.621500 5.373520 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 4.807620 3.989290 1XA 0 0.20280 0.20280 FENC C2 8
3 7 1 17 1 14 1 13 1 0 0 0 0 1.621500 4.770170 1.347790 1XA 0 0.18100 0.18100 FENC C3 9
2 6 2 8 1 11 1 0 0 0 0 0 0 1.621500 3.394810 4.380060 1XA 0 0.47500 0.47500 FENC C4 10
3 10 1 18 1 16 1 15 1 0 0 0 0 1.621500 2.996880 5.840610 1XA 0 0.06100 0.06100 FENC C5 11
42 3 1 0 0 0 0 0 0 0 0 0 0 1.621500 0.679997 3.071140 1XA 0 0.40000 0.40000 FENC H1 12
41 9 1 0 0 0 0 0 0 0 0 0 0 1.621500 5.519740 0.550056 1XA 0 0.00000 0.00000 FENC H2 13
41 9 1 0 0 0 0 0 0 0 0 0 0 2.509080 4.144600 1.208940 1XA 0 0.00000 0.00000 FENC H3 14
41 11 1 0 0 0 0 0 0 0 0 0 0 1.621500 3.857910 6.511570 1XA 0 0.00000 0.00000 FENC H4 15
41 11 1 0 0 0 0 0 0 0 0 0 0 2.512160 2.397390 6.052120 1XA 0 0.00000 0.00000 FENC H5 16
41 9 1 0 0 0 0 0 0 0 0 0 0 0.733919 4.144600 1.208940 1XA 0 0.00000 0.00000 FENC H3A 17
41 11 1 0 0 0 0 0 0 0 0 0 0 0.730839 2.397390 6.052120 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 -1.660630 0.855406 0.576643 1XA 0 0.43000 0.43000 UNCH C1 1
25 1 1 3 2 0 0 0 0 0 0 0 0 -1.225710 -0.320584 1.158670 1XA 0 -0.56530 -0.56530 UNCH N2 2
2 2 2 4 1 10 1 0 0 0 0 0 0 -2.090160 -1.197890 0.709614 1XA 0 0.29810 0.29810 UNCH C3 3
16 3 1 5 1 0 0 0 0 0 0 0 0 -3.033050 -0.658526 -0.113042 1XA 0 -0.01910 -0.01910 UNCH O4 4
25 1 2 4 1 0 0 0 0 0 0 0 0 -2.750160 0.703991 -0.204841 1XA 0 -0.40970 -0.40970 UNCH N5 5
2 1 1 7 2 8 1 0 0 0 0 0 0 -1.007260 2.162360 0.770067 1XA 0 0.71600 0.71600 UNCH C6 6
15 6 2 0 0 0 0 0 0 0 0 0 0 0.002555 2.318240 1.452540 1XA 0 -0.57000 -0.57000 UNCH O7 7
25 6 1 9 1 11 1 0 0 0 0 0 0 -1.624300 3.209190 0.103611 1XA 0 -0.73010 -0.73010 UNCH N8 8
3 8 1 12 1 13 1 14 1 0 0 0 0 -1.059430 4.530920 0.078679 1XA 0 0.30010 0.30010 UNCH C9 9
3 3 1 15 1 16 1 17 1 0 0 0 0 -2.181530 -2.645780 0.962676 1XA 0 0.18000 0.18000 UNCH C10 10
43 8 1 0 0 0 0 0 0 0 0 0 0 -2.386990 2.970840 -0.522155 1XA 0 0.37000 0.37000 UNCH H8 11
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.845120 5.240310 -0.190868 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 -0.671606 1XA 0 0.00000 0.00000 UNCH H92 13
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.644309 4.787500 1.056910 1XA 0 0.00000 0.00000 UNCH H93 14
41 10 1 0 0 0 0 0 0 0 0 0 0 -1.380720 -2.972450 1.632680 1XA 0 0.00000 0.00000 UNCH H101 15
41 10 1 0 0 0 0 0 0 0 0 0 0 -2.094000 -3.205170 0.026623 1XA 0 0.00000 0.00000 UNCH H102 16
41 10 1 0 0 0 0 0 0 0 0 0 0 -3.139820 -2.894210 1.428240 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 2.221010 3.362580 5.205760 1XA 0 -0.46000 -0.46000 UNCH S1 1
3 1 1 3 1 15 1 16 1 0 0 0 0 1.329550 4.919320 5.496580 1XA 0 0.23000 0.23000 UNCH C2 2
3 2 1 4 1 17 1 18 1 0 0 0 0 1.936820 5.907120 4.515160 1XA 0 0.30010 0.30010 UNCH C3 3
25 3 1 5 1 9 1 0 0 0 0 0 0 2.263790 5.153560 3.311690 1XA 0 -0.66020 -0.66020 UNCH N4 4
2 4 1 6 2 7 1 0 0 0 0 0 0 1.263610 4.863310 2.362040 1XA 0 0.50000 0.50000 UNCH C5 5
49 5 2 0 0 0 0 0 0 0 0 0 0 0.024737 5.826810 1.831690 1XA 0 -0.38000 -0.38000 UNCH S5 6
25 5 1 8 1 19 1 0 0 0 0 0 0 1.440520 3.573540 1.891890 1XA 0 -0.73010 -0.73010 UNCH N6 7
3 7 1 9 1 11 1 12 1 0 0 0 0 2.721350 3.024660 2.325210 1XA 0 0.30010 0.30010 UNCH C7 8
3 1 1 4 1 8 1 10 1 0 0 0 0 3.052330 3.945460 3.580010 1XA 0 0.80010 0.80010 UNCH C71 9
26 9 1 13 1 14 1 0 0 0 0 0 0 4.428380 4.308190 3.954900 1XA 0 -0.81000 -0.81000 UNCH N71 10
3 8 1 20 1 21 1 22 1 0 0 0 0 3.677180 3.203020 1.130420 1XA 0 0.00000 0.00000 UNCH C8 11
3 8 1 23 1 24 1 25 1 0 0 0 0 2.591310 1.526920 2.619470 1XA 0 0.00000 0.00000 UNCH C9 12
3 10 1 26 1 27 1 28 1 0 0 0 0 5.106450 5.281460 3.105480 1XA 0 0.27000 0.27000 UNCH C10 13
3 10 1 29 1 30 1 31 1 0 0 0 0 5.304220 3.168890 4.218510 1XA 0 0.27000 0.27000 UNCH C11 14
41 2 1 0 0 0 0 0 0 0 0 0 0 1.431210 5.253090 6.532510 1XA 0 0.00000 0.00000 UNCH H21 15
41 2 1 0 0 0 0 0 0 0 0 0 0 0.269300 4.750690 5.284220 1XA 0 0.00000 0.00000 UNCH H22 16
41 3 1 0 0 0 0 0 0 0 0 0 0 2.860380 6.340900 4.915940 1XA 0 0.00000 0.00000 UNCH H31 17
41 3 1 0 0 0 0 0 0 0 0 0 0 1.251390 6.733520 4.308320 1XA 0 0.00000 0.00000 UNCH H32 18
43 7 1 0 0 0 0 0 0 0 0 0 0 0.902924 3.239560 1.100540 1XA 0 0.37000 0.37000 UNCH H6 19
41 11 1 0 0 0 0 0 0 0 0 0 0 3.760140 4.252140 0.826591 1XA 0 0.00000 0.00000 UNCH H81 20
41 11 1 0 0 0 0 0 0 0 0 0 0 3.300800 2.664130 0.251291 1XA 0 0.00000 0.00000 UNCH H82 21
41 11 1 0 0 0 0 0 0 0 0 0 0 4.676290 2.811970 1.335600 1XA 0 0.00000 0.00000 UNCH H83 22
41 12 1 0 0 0 0 0 0 0 0 0 0 3.513020 1.121760 3.048110 1XA 0 0.00000 0.00000 UNCH H91 23
41 12 1 0 0 0 0 0 0 0 0 0 0 2.377940 0.965743 1.701480 1XA 0 0.00000 0.00000 UNCH H92 24
41 12 1 0 0 0 0 0 0 0 0 0 0 1.763330 1.306700 3.300750 1XA 0 0.00000 0.00000 UNCH H93 25
41 13 1 0 0 0 0 0 0 0 0 0 0 4.492130 6.160970 2.890190 1XA 0 0.00000 0.00000 UNCH H101 26
41 13 1 0 0 0 0 0 0 0 0 0 0 5.453870 4.861850 2.158460 1XA 0 0.00000 0.00000 UNCH H102 27
41 13 1 0 0 0 0 0 0 0 0 0 0 5.992180 5.665790 3.626000 1XA 0 0.00000 0.00000 UNCH H103 28
41 14 1 0 0 0 0 0 0 0 0 0 0 6.245340 3.512970 4.664000 1XA 0 0.00000 0.00000 UNCH H111 29
41 14 1 0 0 0 0 0 0 0 0 0 0 5.555260 2.608050 3.314390 1XA 0 0.00000 0.00000 UNCH H112 30
41 14 1 0 0 0 0 0 0 0 0 0 0 4.875610 2.467930 4.940990 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 8.097250 3.632570 1.779210 1XA 0 -0.37100 -0.37100 FENJ S1 1
2 1 1 6 1 3 2 0 0 0 0 0 0 6.494860 2.960450 1.540410 1XA 0 0.53000 0.53000 FENJ C2 2
25 2 2 4 1 0 0 0 0 0 0 0 0 6.157270 2.673520 0.316498 1XA 0 -0.69600 -0.69600 FENJ N3 3
3 3 1 34 1 16 1 5 1 0 0 0 0 7.297900 2.936240 -0.585106 1XA 0 0.24600 0.24600 FENJ C4 4
3 1 1 4 1 18 1 17 1 0 0 0 0 8.206990 3.991300 0.019605 1XA 0 0.23000 0.23000 FENJ C5 5
3 2 1 10 1 9 1 7 1 0 0 0 0 5.539520 2.722850 2.741700 1XA 0 0.36110 0.36110 FENJ C6 6
3 6 1 20 1 19 1 8 1 0 0 0 0 6.142020 1.643990 3.672290 1XA 0 0.00000 0.00000 FENJ C7 7
3 7 1 23 1 22 1 21 1 0 0 0 0 6.311460 0.272621 3.024440 1XA 0 0.00000 0.00000 FENJ C8 8
3 6 1 26 1 25 1 24 1 0 0 0 0 5.344390 4.055850 3.482000 1XA 0 0.00000 0.00000 FENJ C9 9
25 6 1 27 1 11 1 0 0 0 0 0 0 4.262630 2.294110 2.097670 1XA 0 -0.73010 -0.73010 FENJ N10 10
2 10 1 13 1 12 2 0 0 0 0 0 0 3.027320 1.934950 2.586390 1XA 0 0.50000 0.50000 FENJ C11 11
49 11 2 0 0 0 0 0 0 0 0 0 0 2.647990 1.821370 4.216480 1XA 0 -0.38000 -0.38000 FENJ S11 12
25 11 1 15 1 14 1 0 0 0 0 0 0 2.101410 1.673000 1.561220 1XA 0 -0.66020 -0.66020 FENJ N12 13
3 13 1 30 1 29 1 28 1 0 0 0 0 0.866190 0.927377 1.797100 1XA 0 0.30010 0.30010 FENJ C13 14
3 13 1 33 1 32 1 31 1 0 0 0 0 2.190380 2.293070 0.240084 1XA 0 0.30010 0.30010 FENJ C14 15
41 4 1 0 0 0 0 0 0 0 0 0 0 6.925080 3.275400 -1.557460 1XA 0 0.00000 0.00000 FENJ H41 16
41 5 1 0 0 0 0 0 0 0 0 0 0 7.816320 4.996850 -0.164863 1XA 0 0.00000 0.00000 FENJ H51 17
41 5 1 0 0 0 0 0 0 0 0 0 0 9.230980 3.926380 -0.356403 1XA 0 0.00000 0.00000 FENJ H52 18
41 7 1 0 0 0 0 0 0 0 0 0 0 5.529250 1.524150 4.570980 1XA 0 0.00000 0.00000 FENJ H71 19
41 7 1 0 0 0 0 0 0 0 0 0 0 7.123960 1.969930 4.037330 1XA 0 0.00000 0.00000 FENJ H72 20
41 8 1 0 0 0 0 0 0 0 0 0 0 5.352790 -0.140784 2.697960 1XA 0 0.00000 0.00000 FENJ H81 21
41 8 1 0 0 0 0 0 0 0 0 0 0 6.982190 0.314580 2.161250 1XA 0 0.00000 0.00000 FENJ H82 22
41 8 1 0 0 0 0 0 0 0 0 0 0 6.745040 -0.427484 3.746180 1XA 0 0.00000 0.00000 FENJ H83 23
41 9 1 0 0 0 0 0 0 0 0 0 0 6.280140 4.420580 3.919040 1XA 0 0.00000 0.00000 FENJ H91 24
41 9 1 0 0 0 0 0 0 0 0 0 0 4.974690 4.831570 2.800810 1XA 0 0.00000 0.00000 FENJ H92 25
41 9 1 0 0 0 0 0 0 0 0 0 0 4.629700 3.976320 4.304470 1XA 0 0.00000 0.00000 FENJ H93 26
43 10 1 0 0 0 0 0 0 0 0 0 0 4.410370 2.047280 1.123180 1XA 0 0.37000 0.37000 FENJ H10 27
41 14 1 0 0 0 0 0 0 0 0 0 0 0.972261 0.216471 2.619850 1XA 0 0.00000 0.00000 FENJ H131 28
41 14 1 0 0 0 0 0 0 0 0 0 0 0.064394 1.636990 2.021930 1XA 0 0.00000 0.00000 FENJ H132 29
41 14 1 0 0 0 0 0 0 0 0 0 0 0.611638 0.362243 0.894827 1XA 0 0.00000 0.00000 FENJ H133 30
41 15 1 0 0 0 0 0 0 0 0 0 0 2.503410 1.531080 -0.479084 1XA 0 0.00000 0.00000 FENJ H141 31
41 15 1 0 0 0 0 0 0 0 0 0 0 2.890730 3.131880 0.222416 1XA 0 0.00000 0.00000 FENJ H142 32
41 15 1 0 0 0 0 0 0 0 0 0 0 1.205220 2.677730 -0.042842 1XA 0 0.00000 0.00000 FENJ H143 33
41 4 1 0 0 0 0 0 0 0 0 0 0 7.839260 1.997180 -0.755685 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 4.996310 0.038411 1XA 0 -0.73010 -0.73010 UNCH N1 1
2 1 1 3 2 4 1 0 0 0 0 0 0 2.412590 3.888470 0.854592 1XA 0 0.50000 0.50000 UNCH C2 2
49 2 2 0 0 0 0 0 0 0 0 0 0 3.242480 2.525790 0.412728 1XA 0 -0.38000 -0.38000 UNCH S2 3
25 2 1 5 1 12 1 0 0 0 0 0 0 1.701090 4.141710 1.992880 1XA 0 -0.42010 -0.42010 UNCH N3 4
2 4 1 6 2 7 1 0 0 0 0 0 0 1.127350 5.390670 1.922900 1XA 0 0.56900 0.56900 UNCH C4 5
15 5 2 0 0 0 0 0 0 0 0 0 0 0.378836 5.884870 2.755910 1XA 0 -0.57000 -0.57000 UNCH O4 6
3 1 1 5 1 8 1 11 1 0 0 0 0 1.575110 6.065670 0.615716 1XA 0 0.36110 0.36110 UNCH C5 7
3 7 1 9 1 16 1 17 1 0 0 0 0 0.385491 6.472210 -0.254579 1XA 0 0.00000 0.00000 UNCH C6 8
3 8 1 10 1 18 1 19 1 0 0 0 0 0.283395 7.979500 -0.062844 1XA 0 0.00000 0.00000 UNCH C7 9
3 9 1 11 1 20 1 21 1 0 0 0 0 1.735730 8.416120 0.031742 1XA 0 0.00000 0.00000 UNCH C8 10
3 7 1 10 1 22 1 23 1 0 0 0 0 2.396880 7.332010 0.878798 1XA 0 0.00000 0.00000 UNCH C9 11
3 4 1 13 1 24 1 25 1 0 0 0 0 1.445930 3.236480 3.110250 1XA 0 0.30010 0.30010 UNCH C10 12
3 12 1 14 1 26 1 27 1 0 0 0 0 0.152114 2.447910 2.905530 1XA 0 0.23000 0.23000 UNCH C11 13
49 13 1 28 1 0 0 0 0 0 0 0 0 -0.191259 1.369270 4.327530 1XA 0 -0.41000 -0.41000 UNCH S11 14
43 1 1 0 0 0 0 0 0 0 0 0 0 2.823520 5.030620 -0.858086 1XA 0 0.37000 0.37000 UNCH H1 15
41 8 1 0 0 0 0 0 0 0 0 0 0 0.582901 6.253620 -1.311710 1XA 0 0.00000 0.00000 UNCH H61 16
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.548840 5.971040 0.019031 1XA 0 0.00000 0.00000 UNCH H62 17
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.244869 8.210000 0.869768 1XA 0 0.00000 0.00000 UNCH H71 18
41 9 1 0 0 0 0 0 0 0 0 0 0 -0.245209 8.467430 -0.886626 1XA 0 0.00000 0.00000 UNCH H72 19
41 10 1 0 0 0 0 0 0 0 0 0 0 2.187720 8.436690 -0.967202 1XA 0 0.00000 0.00000 UNCH H81 20
41 10 1 0 0 0 0 0 0 0 0 0 0 1.844580 9.410730 0.473690 1XA 0 0.00000 0.00000 UNCH H82 21
41 11 1 0 0 0 0 0 0 0 0 0 0 3.453120 7.224460 0.608537 1XA 0 0.00000 0.00000 UNCH H91 22
41 11 1 0 0 0 0 0 0 0 0 0 0 2.357270 7.621280 1.935830 1XA 0 0.00000 0.00000 UNCH H92 23
41 12 1 0 0 0 0 0 0 0 0 0 0 2.297920 2.557730 3.223520 1XA 0 0.00000 0.00000 UNCH H101 24
41 12 1 0 0 0 0 0 0 0 0 0 0 1.376200 3.842740 4.021700 1XA 0 0.00000 0.00000 UNCH H102 25
41 13 1 0 0 0 0 0 0 0 0 0 0 -0.698450 3.124290 2.771260 1XA 0 0.00000 0.00000 UNCH H111 26
41 13 1 0 0 0 0 0 0 0 0 0 0 0.220085 1.825620 2.007440 1XA 0 0.00000 0.00000 UNCH H112 27
41 14 1 0 0 0 0 0 0 0 0 0 0 -0.416648 2.349690 5.215750 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 -0.206483 5.562760 8.159880 1XA 0 -0.34320 -0.34320 FENN P1 1
26 6 1 5 1 4 1 0 0 0 0 0 0 0.114476 7.683260 9.897180 1XA 0 -0.78820 -0.78820 FENN N1 2
26 8 1 7 1 4 1 0 0 0 0 0 0 1.358520 7.771040 7.921270 1XA 0 -0.78820 -0.78820 FENN N2 3
2 1 2 2 1 3 1 0 0 0 0 0 0 0.451496 7.068220 8.697380 1XA 0 0.34740 0.34740 FENN C1 4
3 2 1 12 1 11 1 10 1 0 0 0 0 0.966234 8.735920 10.454800 1XA 0 0.36910 0.36910 FENN C2 5
3 2 1 15 1 14 1 13 1 0 0 0 0 -0.769092 7.048820 10.877200 1XA 0 0.36910 0.36910 FENN C3 6
3 3 1 18 1 17 1 16 1 0 0 0 0 0.814925 8.711030 6.938220 1XA 0 0.36910 0.36910 FENN C4 7
3 3 1 21 1 20 1 19 1 0 0 0 0 2.609970 7.141590 7.499790 1XA 0 0.36910 0.36910 FENN C5 8
41 1 1 0 0 0 0 0 0 0 0 0 0 0.484709 5.524170 6.921070 1XA 0 0.09580 0.09580 FENN H1 9
41 5 1 0 0 0 0 0 0 0 0 0 0 0.536818 9.171230 11.363600 1XA 0 0.00000 0.00000 FENN H21 10
41 5 1 0 0 0 0 0 0 0 0 0 0 1.091550 9.562330 9.747770 1XA 0 0.00000 0.00000 FENN H22 11
41 5 1 0 0 0 0 0 0 0 0 0 0 1.951370 8.331110 10.709900 1XA 0 0.00000 0.00000 FENN H23 12
41 6 1 0 0 0 0 0 0 0 0 0 0 -1.062670 7.749570 11.666700 1XA 0 0.00000 0.00000 FENN H31 13
41 6 1 0 0 0 0 0 0 0 0 0 0 -0.268343 6.198360 11.351700 1XA 0 0.00000 0.00000 FENN H32 14
41 6 1 0 0 0 0 0 0 0 0 0 0 -1.701520 6.710520 10.413700 1XA 0 0.00000 0.00000 FENN H33 15
41 7 1 0 0 0 0 0 0 0 0 0 0 0.470046 8.182130 6.043420 1XA 0 0.00000 0.00000 FENN H41 16
41 7 1 0 0 0 0 0 0 0 0 0 0 -0.027646 9.271720 7.357230 1XA 0 0.00000 0.00000 FENN H42 17
41 7 1 0 0 0 0 0 0 0 0 0 0 1.578560 9.437560 6.641300 1XA 0 0.00000 0.00000 FENN H43 18
41 8 1 0 0 0 0 0 0 0 0 0 0 3.361310 7.908820 7.284000 1XA 0 0.00000 0.00000 FENN H51 19
41 8 1 0 0 0 0 0 0 0 0 0 0 2.471990 6.536190 6.598050 1XA 0 0.00000 0.00000 FENN H52 20
41 8 1 0 0 0 0 0 0 0 0 0 0 3.013610 6.507060 8.296230 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 3.086470 8.030720 2.926990 1XA 0 0.63000 0.63000 FENY C1 1
15 1 2 0 0 0 0 0 0 0 0 0 0 3.738820 8.926150 3.406090 1XA 0 -0.57000 -0.57000 FENY O1 2
2 1 1 12 2 4 1 0 0 0 0 0 0 2.739390 7.901790 1.504210 1XA 0 0.01340 0.01340 FENY C2 3
2 3 1 6 1 5 2 0 0 0 0 0 0 1.763910 6.830340 1.260170 1XA 0 0.63000 0.63000 FENY C3 4
15 4 2 0 0 0 0 0 0 0 0 0 0 1.369740 6.464570 0.180159 1XA 0 -0.57000 -0.57000 FENY O2 5
25 4 1 11 1 7 1 0 0 0 0 0 0 1.507780 6.376360 2.537890 1XA 0 -0.36010 -0.36010 FENY N1 6
3 6 1 21 1 14 1 8 1 0 0 0 0 0.999089 5.045140 2.837490 1XA 0 0.36110 0.36110 FENY C4 7
3 7 1 23 1 22 1 9 1 0 0 0 0 0.487597 4.979600 4.282180 1XA 0 0.00000 0.00000 FENY C5 8
3 8 1 25 1 24 1 10 1 0 0 0 0 1.515010 5.536600 5.274120 1XA 0 0.00000 0.00000 FENY C6 9
3 9 1 27 1 26 1 11 1 0 0 0 0 1.965220 6.937350 4.870080 1XA 0 0.30010 0.30010 FENY C7 10
25 1 1 6 1 10 1 0 0 0 0 0 0 2.404810 6.967530 3.492350 1XA 0 -0.36010 -0.36010 FENY N2 11
204 3 2 13 2 0 0 0 0 0 0 0 0 3.236800 8.652420 0.567857 1XA 0 0.35660 0.35660 FENY N3 12
201 12 2 0 0 0 0 0 0 0 0 0 0 3.669530 9.313890 -0.255224 1XA 0 -0.37000 -0.37000 FENY N4 13
2 7 1 16 1 15 2 0 0 0 0 0 0 2.066700 3.973420 2.573180 1XA 0 0.65900 0.65900 FENY C8 14
15 14 2 0 0 0 0 0 0 0 0 0 0 3.259800 4.194790 2.418670 1XA 0 -0.57000 -0.57000 FENY O3 15
16 14 1 17 1 0 0 0 0 0 0 0 0 1.479520 2.743540 2.555230 1XA 0 -0.43000 -0.43000 FENY O4 16
3 16 1 20 1 19 1 18 1 0 0 0 0 2.267620 1.546930 2.321490 1XA 0 0.28000 0.28000 FENY C9 17
3 17 1 30 1 29 1 28 1 0 0 0 0 3.299520 1.336900 3.434880 1XA 0 0.00000 0.00000 FENY C10 18
3 17 1 33 1 32 1 31 1 0 0 0 0 1.251310 0.396005 2.370570 1XA 0 0.00000 0.00000 FENY C11 19
3 17 1 36 1 35 1 34 1 0 0 0 0 2.916030 1.569520 0.933220 1XA 0 0.00000 0.00000 FENY C12 20
41 7 1 0 0 0 0 0 0 0 0 0 0 0.179191 4.853320 2.133880 1XA 0 0.00000 0.00000 FENY H1 21
41 8 1 0 0 0 0 0 0 0 0 0 0 0.227154 3.952800 4.562680 1XA 0 0.00000 0.00000 FENY H2 22
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.430266 5.576320 4.361260 1XA 0 0.00000 0.00000 FENY H3 23
41 9 1 0 0 0 0 0 0 0 0 0 0 1.086930 5.559430 6.282240 1XA 0 0.00000 0.00000 FENY H4 24
41 9 1 0 0 0 0 0 0 0 0 0 0 2.384280 4.868350 5.308300 1XA 0 0.00000 0.00000 FENY H5 25
41 10 1 0 0 0 0 0 0 0 0 0 0 2.787810 7.278640 5.507950 1XA 0 0.00000 0.00000 FENY H6 26
41 10 1 0 0 0 0 0 0 0 0 0 0 1.147930 7.660370 4.979010 1XA 0 0.00000 0.00000 FENY H7 27
41 18 1 0 0 0 0 0 0 0 0 0 0 3.778630 0.355216 3.353990 1XA 0 0.00000 0.00000 FENY H8 28
41 18 1 0 0 0 0 0 0 0 0 0 0 2.828280 1.414940 4.421150 1XA 0 0.00000 0.00000 FENY H9 29
41 18 1 0 0 0 0 0 0 0 0 0 0 4.092110 2.090560 3.405980 1XA 0 0.00000 0.00000 FENY H10 30
41 19 1 0 0 0 0 0 0 0 0 0 0 1.728570 -0.575906 2.206940 1XA 0 0.00000 0.00000 FENY H11 31
41 19 1 0 0 0 0 0 0 0 0 0 0 0.472300 0.531457 1.611160 1XA 0 0.00000 0.00000 FENY H12 32
41 19 1 0 0 0 0 0 0 0 0 0 0 0.737550 0.370914 3.338750 1XA 0 0.00000 0.00000 FENY H13 33
41 20 1 0 0 0 0 0 0 0 0 0 0 3.371290 0.603275 0.690521 1XA 0 0.00000 0.00000 FENY H14 34
41 20 1 0 0 0 0 0 0 0 0 0 0 3.701150 2.328040 0.860352 1XA 0 0.00000 0.00000 FENY H15 35
41 20 1 0 0 0 0 0 0 0 0 0 0 2.175280 1.809420 0.162146 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 4.091880 3.129110 9.718980 1XA 0 -0.75000 -0.75000 FEPW S1 1
51 5 1 0 0 0 0 0 0 0 0 0 0 5.422400 1.121110 7.927280 1XA 0 -0.75000 -0.75000 FEPW S2 2
25 5 1 6 1 8 1 0 0 0 0 0 0 3.353510 0.661590 9.628020 1XA 0 -0.83240 -0.83240 FEPW N1 3
31 6 2 9 1 10 1 0 0 0 0 0 0 3.884700 -1.339820 8.549210 1XA 0 -0.75440 -0.75440 FEPW N2 4
2 1 2 2 1 3 1 0 0 0 0 0 0 4.275700 1.576610 9.085110 1XA 0 1.02800 1.02800 FEPW C1 5
2 3 1 4 2 7 1 0 0 0 0 0 0 3.178160 -0.623990 9.394460 1XA 0 0.60380 0.60380 FEPW C2 6
3 6 1 11 1 12 1 13 1 0 0 0 0 2.101910 -1.309350 10.144000 1XA 0 0.10500 0.10500 FEPW C3 7
43 3 1 0 0 0 0 0 0 0 0 0 0 2.715990 1.053040 10.313600 1XA 0 0.45000 0.45000 FEPW H1 8
44 4 1 0 0 0 0 0 0 0 0 0 0 4.629550 -0.860064 8.032130 1XA 0 0.45000 0.45000 FEPW H2 9
44 4 1 0 0 0 0 0 0 0 0 0 0 3.733730 -2.323350 8.385480 1XA 0 0.45000 0.45000 FEPW H3 10
41 7 1 0 0 0 0 0 0 0 0 0 0 2.034600 -2.370140 9.882440 1XA 0 0.00000 0.00000 FEPW H4 11
41 7 1 0 0 0 0 0 0 0 0 0 0 1.134120 -0.846516 9.925800 1XA 0 0.00000 0.00000 FEPW H5 12
41 7 1 0 0 0 0 0 0 0 0 0 0 2.285870 -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 4.002920 1.540720 4.412770 1XA 0 -0.26600 -0.26600 UNCH S1 1
56 5 1 0 0 0 0 0 0 0 0 0 0 1.874190 1.688910 5.857490 1XA 0 -0.34000 -0.34000 UNCH F1 2
56 5 1 0 0 0 0 0 0 0 0 0 0 1.697880 2.668070 3.935040 1XA 0 -0.34000 -0.34000 UNCH F2 3
24 6 3 0 0 0 0 0 0 0 0 0 0 4.569990 3.138660 2.132350 1XA 0 -0.55710 -0.55710 UNCH N1 4
3 1 1 2 1 3 1 7 1 0 0 0 0 2.554780 2.481130 4.978980 1XA 0 0.91000 0.91000 UNCH C1 5
1 1 1 4 3 0 0 0 0 0 0 0 0 4.340320 2.483310 3.059470 1XA 0 0.59310 0.59310 UNCH C2 6
3 5 1 8 1 9 1 10 1 0 0 0 0 2.898210 3.836880 5.651480 1XA 0 0.91000 0.91000 UNCH C1B 7
49 7 1 11 1 0 0 0 0 0 0 0 0 1.450080 4.777300 6.217690 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 4.772970 1XA 0 -0.34000 -0.34000 UNCH F1B 9
56 7 1 0 0 0 0 0 0 0 0 0 0 3.755110 3.649940 6.695420 1XA 0 -0.34000 -0.34000 UNCH F2B 10
1 8 1 12 3 0 0 0 0 0 0 0 0 1.112680 3.834710 7.570990 1XA 0 0.59310 0.59310 UNCH C2B 11
24 11 3 0 0 0 0 0 0 0 0 0 0 0.883008 3.179360 8.498110 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 3.851390 -0.000001 1.415300 1XA 0 -0.18000 -0.18000 UNCH N1 1
2 1 1 3 2 4 1 0 0 0 0 0 0 4.698210 -1.082520 1.415300 1XA 0 0.57000 0.57000 UNCH C1 2
15 2 2 0 0 0 0 0 0 0 0 0 0 5.924620 -1.036430 1.415300 1XA 0 -0.57000 -0.57000 UNCH O1 3
41 2 1 0 0 0 0 0 0 0 0 0 0 4.173360 -2.052910 1.415300 1XA 0 0.06000 0.06000 UNCH H1 4
2 1 1 7 2 8 1 0 0 0 0 0 0 4.365470 1.274630 1.415300 1XA 0 0.57000 0.57000 UNCH C1A 5
2 1 1 9 2 10 1 0 0 0 0 0 0 2.490490 -0.192111 1.415300 1XA 0 0.57000 0.57000 UNCH C1B 6
15 5 2 0 0 0 0 0 0 0 0 0 0 3.712340 2.313680 1.415300 1XA 0 -0.57000 -0.57000 UNCH O1A 7
41 5 1 0 0 0 0 0 0 0 0 0 0 5.468280 1.305290 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 -1.277260 1.415300 1XA 0 -0.57000 -0.57000 UNCH O1B 9
41 6 1 0 0 0 0 0 0 0 0 0 0 1.912530 0.747618 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 1.733090 7.580420 1.207920 1XA 0 -0.29000 -0.29000 UNCH CL1 1
57 4 1 0 0 0 0 0 0 0 0 0 0 1.626800 4.690690 0.928524 1XA 0 -0.29000 -0.29000 UNCH CL2 2
57 4 1 0 0 0 0 0 0 0 0 0 0 1.092870 5.927720 3.517830 1XA 0 -0.29000 -0.29000 UNCH CL3 3
3 1 1 2 1 3 1 5 1 0 0 0 0 2.110450 6.022360 2.038570 1XA 0 0.87000 0.87000 UNCH C1 4
3 4 1 15 1 16 1 17 1 0 0 0 0 3.626070 5.941890 2.370370 1XA 0 0.56000 0.56000 UNCH C2 5
2 7 1 13 2 14 1 0 0 0 0 0 0 5.762450 7.789410 4.399790 1XA 0 0.41380 0.41380 UNCH C3 6
2 6 1 8 2 12 1 0 0 0 0 0 0 7.199740 7.813510 4.819390 1XA 0 0.08620 0.08620 UNCH C4 7
2 7 2 9 1 18 1 0 0 0 0 0 0 8.178170 7.240720 3.997230 1XA 0 -0.15000 -0.15000 UNCH C5 8
2 8 1 10 2 19 1 0 0 0 0 0 0 9.520430 7.266820 4.381520 1XA 0 -0.15000 -0.15000 UNCH C6 9
2 9 2 11 1 20 1 0 0 0 0 0 0 9.889490 7.859570 5.588520 1XA 0 -0.15000 -0.15000 UNCH C7 10
2 10 1 12 2 21 1 0 0 0 0 0 0 8.918680 8.423860 6.415540 1XA 0 -0.15000 -0.15000 UNCH C8 11
2 7 1 11 2 22 1 0 0 0 0 0 0 7.575120 8.401190 6.034190 1XA 0 -0.15000 -0.15000 UNCH C9 12
25 6 2 16 1 0 0 0 0 0 0 0 0 5.390310 6.903970 3.518170 1XA 0 -0.51300 -0.51300 UNCH N1 13
25 6 1 23 1 24 1 0 0 0 0 0 0 4.891590 8.701320 4.950050 1XA 0 -0.85000 -0.85000 UNCH N2 14
16 5 1 25 1 0 0 0 0 0 0 0 0 3.998210 4.716830 3.012730 1XA 0 -0.68000 -0.68000 UNCH O1 15
16 5 1 13 1 0 0 0 0 0 0 0 0 4.014120 7.034320 3.221760 1XA 0 -0.21700 -0.21700 UNCH O2 16
41 5 1 0 0 0 0 0 0 0 0 0 0 4.206740 6.013930 1.441340 1XA 0 0.00000 0.00000 UNCH H1 17
41 8 1 0 0 0 0 0 0 0 0 0 0 7.904280 6.777420 3.052680 1XA 0 0.15000 0.15000 UNCH H2 18
41 9 1 0 0 0 0 0 0 0 0 0 0 10.277300 6.822740 3.739680 1XA 0 0.15000 0.15000 UNCH H3 19
41 10 1 0 0 0 0 0 0 0 0 0 0 10.934700 7.875660 5.888110 1XA 0 0.15000 0.15000 UNCH H4 20
41 11 1 0 0 0 0 0 0 0 0 0 0 9.207440 8.874320 7.362060 1XA 0 0.15000 0.15000 UNCH H5 21
41 12 1 0 0 0 0 0 0 0 0 0 0 6.829940 8.822070 6.703550 1XA 0 0.15000 0.15000 UNCH H6 22
43 14 1 0 0 0 0 0 0 0 0 0 0 4.009860 8.724470 4.446430 1XA 0 0.40000 0.40000 UNCH H7 23
43 14 1 0 0 0 0 0 0 0 0 0 0 5.268930 9.630490 5.098410 1XA 0 0.40000 0.40000 UNCH H8 24
42 15 1 0 0 0 0 0 0 0 0 0 0 4.861610 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 0.000001 0.000005 5.972530 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 5.467560 1XA 0 0.77300 0.77300 FETR C1 2
26 2 1 4 1 12 1 0 0 0 0 0 0 0.687053 1.190240 4.026490 1XA 0 -0.81000 -0.81000 FETR N2 3
3 3 1 7 1 8 1 13 1 0 0 0 0 1.371320 0.000120 3.537820 1XA 0 0.54000 0.54000 FETR C2 4
44 1 1 0 0 0 0 0 0 0 0 0 0 0.000007 -0.000003 6.994370 1XA 0 0.45000 0.45000 FETR H1 5
41 2 1 0 0 0 0 0 0 0 0 0 0 1.709140 1.204160 5.879080 1XA 0 0.00000 0.00000 FETR H2 6
41 4 1 0 0 0 0 0 0 0 0 0 0 1.414260 0.000132 2.440180 1XA 0 0.00000 0.00000 FETR H3 7
41 4 1 0 0 0 0 0 0 0 0 0 0 2.422270 0.000190 3.857390 1XA 0 0.00000 0.00000 FETR H4 8
3 1 1 14 1 15 1 16 1 0 0 0 0 -1.382570 -0.000086 5.467560 1XA 0 0.77300 0.77300 FETR C1C 9
3 1 1 13 1 17 1 18 1 0 0 0 0 0.691365 -1.197280 5.467540 1XA 0 0.77300 0.77300 FETR C1D 10
41 2 1 0 0 0 0 0 0 0 0 0 0 0.187971 2.082270 5.879090 1XA 0 0.00000 0.00000 FETR H2L 11
3 3 1 14 1 19 1 20 1 0 0 0 0 -0.685763 1.187590 3.537840 1XA 0 0.54000 0.54000 FETR C2C 12
26 4 1 10 1 21 1 0 0 0 0 0 0 0.687218 -1.190100 4.026470 1XA 0 -0.81000 -0.81000 FETR N2D 13
26 9 1 12 1 21 1 0 0 0 0 0 0 -1.374300 -0.000074 4.026490 1XA 0 -0.81000 -0.81000 FETR N2C 14
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.897400 0.878089 5.879100 1XA 0 0.00000 0.00000 FETR H2C 15
41 9 1 0 0 0 0 0 0 0 0 0 0 -1.897280 -0.878339 5.879080 1XA 0 0.00000 0.00000 FETR H2I 16
41 10 1 0 0 0 0 0 0 0 0 0 0 0.188259 -2.082230 5.879060 1XA 0 0.00000 0.00000 FETR H2D 17
41 10 1 0 0 0 0 0 0 0 0 0 0 1.709310 -1.203910 5.879060 1XA 0 0.00000 0.00000 FETR H2M 18
41 12 1 0 0 0 0 0 0 0 0 0 0 -0.707242 1.224780 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 3.857430 1XA 0 0.00000 0.00000 FETR H4C 20
3 13 1 14 1 22 1 23 1 0 0 0 0 -0.685598 -1.187630 3.537820 1XA 0 0.54000 0.54000 FETR C2D 21
41 21 1 0 0 0 0 0 0 0 0 0 0 -0.707072 -1.224810 2.440180 1XA 0 0.00000 0.00000 FETR H3D 22
41 21 1 0 0 0 0 0 0 0 0 0 0 -1.211010 -2.097820 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 2.796690 1.582180 3.647480 1XA 0 0.05300 0.05300 FETS C1 1
3 1 1 3 1 19 1 20 1 0 0 0 0 3.543710 1.444290 2.334760 1XA 0 0.00000 0.00000 FETS C2 2
3 2 1 4 1 14 1 21 1 0 0 0 0 4.402500 2.698560 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 3.793540 2.892090 1XA 0 0.28000 0.28000 FETS C4 4
3 1 1 4 1 6 1 23 1 0 0 0 0 2.662680 3.106570 3.952560 1XA 0 0.00000 0.00000 FETS C5 5
3 5 1 7 1 12 1 24 1 0 0 0 0 3.116300 2.855130 5.428310 1XA 0 0.27800 0.27800 FETS C6 6
2 1 1 6 1 15 2 0 0 0 0 0 0 3.635070 1.484910 4.948620 1XA 0 0.46400 0.46400 FETS C7 7
2 9 1 12 1 16 2 0 0 0 0 0 0 5.389090 3.909910 5.780060 1XA 0 0.56900 0.56900 FETS C8 8
3 8 1 10 1 25 1 26 1 0 0 0 0 5.998210 4.942710 6.678710 1XA 0 0.06100 0.06100 FETS C9 9
3 9 1 11 1 27 1 28 1 0 0 0 0 4.814910 5.580510 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 4.745990 6.949970 1XA 0 0.56900 0.56900 FETS C11 11
25 6 1 8 1 11 1 0 0 0 0 0 0 4.048580 3.825390 6.022340 1XA 0 -0.34500 -0.34500 FETS N1 12
16 4 1 29 1 0 0 0 0 0 0 0 0 2.647630 4.322550 1.892270 1XA 0 -0.68000 -0.68000 FETS O1 13
16 3 1 30 1 0 0 0 0 0 0 0 0 4.685880 3.034460 0.902009 1XA 0 -0.68000 -0.68000 FETS O2 14
15 7 2 0 0 0 0 0 0 0 0 0 0 4.374190 0.643544 5.412230 1XA 0 -0.57000 -0.57000 FETS O3 15
15 8 2 0 0 0 0 0 0 0 0 0 0 6.023250 3.271880 4.955040 1XA 0 -0.57000 -0.57000 FETS O4 16
15 11 2 0 0 0 0 0 0 0 0 0 0 2.508720 4.898000 7.371770 1XA 0 -0.57000 -0.57000 FETS O5 17
41 1 1 0 0 0 0 0 0 0 0 0 0 1.866920 1.007200 3.709760 1XA 0 0.00000 0.00000 FETS H1 18
41 2 1 0 0 0 0 0 0 0 0 0 0 4.150270 0.534003 2.290740 1XA 0 0.00000 0.00000 FETS H2 19
41 2 1 0 0 0 0 0 0 0 0 0 0 2.841220 1.403100 1.493510 1XA 0 0.00000 0.00000 FETS H3 20
41 3 1 0 0 0 0 0 0 0 0 0 0 5.339210 2.560340 2.800100 1XA 0 0.00000 0.00000 FETS H4 21
41 4 1 0 0 0 0 0 0 0 0 0 0 4.114770 4.629780 3.278190 1XA 0 0.00000 0.00000 FETS H5 22
41 5 1 0 0 0 0 0 0 0 0 0 0 1.627980 3.474860 3.923280 1XA 0 0.00000 0.00000 FETS H6 23
41 6 1 0 0 0 0 0 0 0 0 0 0 2.255760 2.693320 6.095090 1XA 0 0.00000 0.00000 FETS H7 24
41 9 1 0 0 0 0 0 0 0 0 0 0 6.667380 4.454220 7.393270 1XA 0 0.00000 0.00000 FETS H8 25
41 9 1 0 0 0 0 0 0 0 0 0 0 6.559340 5.674590 6.091070 1XA 0 0.00000 0.00000 FETS H9 26
41 10 1 0 0 0 0 0 0 0 0 0 0 4.926330 5.556150 8.460760 1XA 0 0.00000 0.00000 FETS H10 27
41 10 1 0 0 0 0 0 0 0 0 0 0 4.664920 6.612220 7.041450 1XA 0 0.00000 0.00000 FETS H11 28
42 13 1 0 0 0 0 0 0 0 0 0 0 3.160610 4.266570 1.056860 1XA 0 0.40000 0.40000 FETS H12 29
42 14 1 0 0 0 0 0 0 0 0 0 0 5.264620 2.331950 0.553336 1XA 0 0.40000 0.40000 FETS H13 30
19 [FEVNUP,19,19,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
57 10 1 0 0 0 0 0 0 0 0 0 0 9.629630 7.857510 1.231350 1XA 0 0.00200 0.00200 UNCH CL1 1
57 11 1 0 0 0 0 0 0 0 0 0 0 9.404710 5.589870 5.317440 1XA 0 -0.29000 -0.29000 UNCH CL2 2
57 11 1 0 0 0 0 0 0 0 0 0 0 8.152870 3.816770 3.365010 1XA 0 -0.29000 -0.29000 UNCH CL3 3
25 5 1 6 1 12 1 0 0 0 0 0 0 11.270000 3.274030 2.560840 1XA 0 -0.66020 -0.66020 UNCH N1 4
3 4 1 14 1 15 1 16 1 0 0 0 0 12.046000 2.048060 2.553860 1XA 0 0.30010 0.30010 UNCH C1 5
2 4 1 7 2 8 1 0 0 0 0 0 0 11.306700 4.095070 1.456520 1XA 0 0.69000 0.69000 UNCH C2 6
15 6 2 0 0 0 0 0 0 0 0 0 0 11.843300 3.802970 0.392627 1XA 0 -0.57000 -0.57000 UNCH O1 7
25 6 1 9 1 17 1 0 0 0 0 0 0 10.668300 5.302690 1.586470 1XA 0 -0.49000 -0.49000 UNCH N2 8
2 8 1 10 2 11 1 0 0 0 0 0 0 9.859310 5.739600 2.619090 1XA 0 0.44900 0.44900 UNCH C3 9
25 1 1 9 2 0 0 0 0 0 0 0 0 9.262880 6.895300 2.628550 1XA 0 -0.45200 -0.45200 UNCH N3 10
3 2 1 3 1 9 1 12 1 0 0 0 0 9.640190 4.744780 3.753550 1XA 0 0.64100 0.64100 UNCH C4 11
3 4 1 11 1 13 1 18 1 0 0 0 0 10.866000 3.810440 3.845300 1XA 0 0.58010 0.58010 UNCH C5 12
16 12 1 19 1 0 0 0 0 0 0 0 0 12.020200 4.449100 4.394100 1XA 0 -0.68000 -0.68000 UNCH O2 13
41 5 1 0 0 0 0 0 0 0 0 0 0 12.176500 1.670040 1.535930 1XA 0 0.00000 0.00000 UNCH H1 14
41 5 1 0 0 0 0 0 0 0 0 0 0 13.031300 2.248290 2.984990 1XA 0 0.00000 0.00000 UNCH H2 15
41 5 1 0 0 0 0 0 0 0 0 0 0 11.528400 1.289100 3.147270 1XA 0 0.00000 0.00000 UNCH H3 16
43 8 1 0 0 0 0 0 0 0 0 0 0 10.756300 5.907460 0.780812 1XA 0 0.37000 0.37000 UNCH H4 17
41 12 1 0 0 0 0 0 0 0 0 0 0 10.627400 2.965440 4.503820 1XA 0 0.00000 0.00000 UNCH H5 18
42 13 1 0 0 0 0 0 0 0 0 0 0 11.771000 4.791800 5.272680 1XA 0 0.40000 0.40000 UNCH H6 19
19 [FEYLUQ,19,19,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
16 6 1 7 1 0 0 0 0 0 0 0 0 7.540490 1.251230 5.062920 1XA 0 0.24180 0.24180 UNCH O1 1
18 10 1 0 0 0 0 0 0 0 0 0 0 4.639210 1.753010 0.699097 1XA 0 -0.52000 -0.52000 UNCH O2 2
15 10 2 0 0 0 0 0 0 0 0 0 0 5.879020 3.216490 1.774320 1XA 0 -0.52000 -0.52000 UNCH O3 3
18 11 1 0 0 0 0 0 0 0 0 0 0 9.442240 -2.664030 2.102130 1XA 0 -0.52000 -0.52000 UNCH O4 4
15 11 2 0 0 0 0 0 0 0 0 0 0 8.627880 -2.674570 4.144600 1XA 0 -0.52000 -0.52000 UNCH O5 5
25 1 1 14 2 0 0 0 0 0 0 0 0 6.894320 1.859280 4.000030 1XA 0 -0.40970 -0.40970 UNCH N1 6
25 1 1 15 2 0 0 0 0 0 0 0 0 7.995030 -0.011254 4.721550 1XA 0 -0.40970 -0.40970 UNCH N2 7
25 10 1 12 1 14 1 0 0 0 0 0 0 6.484810 1.073100 1.709430 1XA 0 -0.45610 -0.45610 UNCH N3 8
25 11 1 13 1 15 1 0 0 0 0 0 0 7.805420 -1.271140 2.621700 1XA 0 -0.45610 -0.45610 UNCH N4 9
31 2 1 3 2 8 1 0 0 0 0 0 0 5.603390 2.075190 1.401200 1XA 0 1.04400 1.04400 UNCH N5 10
31 4 1 5 2 9 1 0 0 0 0 0 0 8.695340 -2.244200 2.992220 1XA 0 1.04400 1.04400 UNCH N6 11
3 8 1 13 1 16 1 17 1 0 0 0 0 6.376220 -0.169285 0.941885 1XA 0 0.36910 0.36910 UNCH C1 12
3 9 1 12 1 18 1 19 1 0 0 0 0 7.613360 -1.055500 1.186060 1XA 0 0.36910 0.36910 UNCH C2 13
2 6 2 8 1 15 1 0 0 0 0 0 0 6.949270 0.984822 2.995400 1XA 0 0.37180 0.37180 UNCH C3 14
2 7 2 9 1 14 1 0 0 0 0 0 0 7.629870 -0.196199 3.452910 1XA 0 0.37180 0.37180 UNCH C4 15
41 12 1 0 0 0 0 0 0 0 0 0 0 6.313220 0.037400 -0.134051 1XA 0 0.00000 0.00000 UNCH H1 16
41 12 1 0 0 0 0 0 0 0 0 0 0 5.471070 -0.716999 1.238120 1XA 0 0.00000 0.00000 UNCH H2 17
41 13 1 0 0 0 0 0 0 0 0 0 0 7.458110 -2.007500 0.662695 1XA 0 0.00000 0.00000 UNCH H3 18
41 13 1 0 0 0 0 0 0 0 0 0 0 8.500280 -0.570028 0.756260 1XA 0 0.00000 0.00000 UNCH H4 19
10 [FEZPOP,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 -3.776340 1.023690 6.600920 1XA 0 -0.38000 -0.38000 CHGB S1 1
21 4 1 0 0 0 0 0 0 0 0 0 0 -3.774520 0.824921 9.189770 1XA 0 -0.86100 -0.86100 CHGB O1 2
25 4 1 5 1 6 1 0 0 0 0 0 0 -1.723970 0.683695 8.184810 1XA 0 -0.43000 -0.43000 CHGB N1 3
2 1 2 2 1 3 1 0 0 0 0 0 0 -3.099710 0.835402 8.141510 1XA 0 0.30100 0.30100 CHGB C1 4
43 3 1 0 0 0 0 0 0 0 0 0 0 -1.129500 0.791638 7.370420 1XA 0 0.37000 0.37000 CHGB H1 5
25 3 1 7 1 8 1 0 0 0 0 0 0 -1.025380 0.678738 9.393730 1XA 0 -0.43000 -0.43000 CHGB N1B 6
2 6 1 9 2 10 1 0 0 0 0 0 0 0.349854 0.834505 9.438580 1XA 0 0.30100 0.30100 CHGB C1B 7
43 6 1 0 0 0 0 0 0 0 0 0 0 -1.620190 0.776510 10.209200 1XA 0 0.37000 0.37000 CHGB H1B 8
49 7 2 0 0 0 0 0 0 0 0 0 0 1.025900 1.009450 10.981000 1XA 0 -0.38000 -0.38000 CHGB S1B 9
21 7 1 0 0 0 0 0 0 0 0 0 0 1.024680 0.836814 8.390280 1XA 0 -0.86100 -0.86100 CHGB O1B 10
29 [FEZRUX,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 -0.172974 2.806350 0.038494 1XA 0 -0.57000 -0.57000 UNCH O1 1
25 3 1 9 1 10 1 0 0 0 0 0 0 0.150233 2.144820 -2.148810 1XA 0 -0.10000 -0.10000 UNCH N1 2
25 2 1 8 1 19 1 0 0 0 0 0 0 1.443280 2.695310 -2.173380 1XA 0 -0.47000 -0.47000 UNCH N2 3
25 5 1 8 2 0 0 0 0 0 0 0 0 1.884190 1.671160 -4.290530 1XA 0 -0.49200 -0.49200 UNCH N3 4
25 4 1 9 1 20 1 0 0 0 0 0 0 0.542592 1.403820 -4.342270 1XA 0 -0.40800 -0.40800 UNCH N4 5
25 9 2 12 1 0 0 0 0 0 0 0 0 -1.538780 1.043900 -3.345940 1XA 0 -0.62100 -0.62100 UNCH N5 6
3 8 1 21 1 22 1 23 1 0 0 0 0 3.737740 2.583100 -3.054270 1XA 0 0.06100 0.06100 UNCH C1 7
2 3 1 4 2 7 1 0 0 0 0 0 0 2.265060 2.285290 -3.204990 1XA 0 0.43900 0.43900 UNCH C2 8
2 2 1 5 1 6 2 0 0 0 0 0 0 -0.329717 1.518220 -3.284590 1XA 0 0.56000 0.56000 UNCH C3 9
2 1 2 2 1 11 1 0 0 0 0 0 0 -0.586618 2.293240 -0.998927 1XA 0 0.61560 0.61560 UNCH C4 10
2 10 1 12 2 24 1 0 0 0 0 0 0 -1.954800 1.762400 -1.089700 1XA 0 -0.13560 -0.13560 UNCH C5 11
2 6 1 11 2 13 1 0 0 0 0 0 0 -2.340730 1.174640 -2.232870 1XA 0 0.14260 0.14260 UNCH C6 12
2 12 1 14 2 18 1 0 0 0 0 0 0 -3.725700 0.653880 -2.337330 1XA 0 0.02840 0.02840 UNCH C7 13
2 13 2 15 1 25 1 0 0 0 0 0 0 -4.479510 0.913919 -3.492070 1XA 0 -0.15000 -0.15000 UNCH C8 14
2 14 1 16 2 26 1 0 0 0 0 0 0 -5.784650 0.431896 -3.619140 1XA 0 -0.15000 -0.15000 UNCH C9 15
2 15 2 17 1 27 1 0 0 0 0 0 0 -6.350610 -0.324965 -2.595930 1XA 0 -0.15000 -0.15000 UNCH C10 16
2 16 1 18 2 28 1 0 0 0 0 0 0 -5.611080 -0.605661 -1.449060 1XA 0 -0.15000 -0.15000 UNCH C11 17
2 13 1 17 2 29 1 0 0 0 0 0 0 -4.305420 -0.123126 -1.321480 1XA 0 -0.15000 -0.15000 UNCH C12 18
43 3 1 0 0 0 0 0 0 0 0 0 0 1.836170 2.864910 -1.249620 1XA 0 0.40000 0.40000 UNCH H1 19
43 5 1 0 0 0 0 0 0 0 0 0 0 0.197956 0.866102 -5.132390 1XA 0 0.40000 0.40000 UNCH H2 20
41 7 1 0 0 0 0 0 0 0 0 0 0 4.286990 2.295580 -3.954990 1XA 0 0.00000 0.00000 UNCH H3 21
41 7 1 0 0 0 0 0 0 0 0 0 0 3.877030 3.653190 -2.876310 1XA 0 0.00000 0.00000 UNCH H4 22
41 7 1 0 0 0 0 0 0 0 0 0 0 4.132550 2.024890 -2.200620 1XA 0 0.00000 0.00000 UNCH H5 23
41 11 1 0 0 0 0 0 0 0 0 0 0 -2.587160 1.889020 -0.221848 1XA 0 0.15000 0.15000 UNCH H6 24
41 14 1 0 0 0 0 0 0 0 0 0 0 -4.048660 1.497910 -4.303120 1XA 0 0.15000 0.15000 UNCH H7 25
41 15 1 0 0 0 0 0 0 0 0 0 0 -6.355070 0.644916 -4.519410 1XA 0 0.15000 0.15000 UNCH H8 26
41 16 1 0 0 0 0 0 0 0 0 0 0 -7.364800 -0.702832 -2.696190 1XA 0 0.15000 0.15000 UNCH H9 27
41 17 1 0 0 0 0 0 0 0 0 0 0 -6.047500 -1.207000 -0.655620 1XA 0 0.15000 0.15000 UNCH H10 28
41 18 1 0 0 0 0 0 0 0 0 0 0 -3.742470 -0.375101 -0.425955 1XA 0 0.15000 0.15000 UNCH H11 29
29 [FIBLIL,29,29,S,k] FF=mmff EM=default DC=1.000000 CC=0.001000 #
25 2 1 6 1 7 1 0 0 0 0 0 0 6.905480 0.331824 15.560100 1XA 0 -0.32460 -0.32460 UNCH N1 1
16 1 1 3 1 0 0 0 0 0 0 0 0 5.861620 1.298140 15.415900 1XA 0 -0.31550 -0.31550 UNCH O1 2
3 2 1 4 1 22 1 23 1 0 0 0 0 4.865860 0.761474 14.536500 1XA 0 0.28000 0.28000 UNCH C1 3
3 3 1 5 1 24 1 25 1 0 0 0 0 5.457530 0.609586 13.138900 1XA 0 0.00000 0.00000 UNCH C2 4
3 4 1 6 1 26 1 27 1 0 0 0 0 6.724790 -0.242805 13.191000 1XA 0 0.00000 0.00000 UNCH C3 5
3 1 1 5 1 28 1 29 1 0 0 0 0 7.647170 0.233372 14.308300 1XA 0 0.30010 0.30010 UNCH C4 6
2 1 1 8 2 9 1 0 0 0 0 0 0 7.627620 0.500555 16.743000 1XA 0 0.54380 0.54380 UNCH C5 7
15 7 2 0 0 0 0 0 0 0 0 0 0 8.836250 0.288021 16.834700 1XA 0 -0.57000 -0.57000 UNCH O2 8
2 7 1 10 2 14 1 0 0 0 0 0 0 6.889320 0.901993 17.974100 1XA 0 0.08620 0.08620 UNCH C6 9
2 9 2 11 1 18 1 0 0 0 0 0 0 5.585010 0.457846 18.232599 1XA 0 -0.15000 -0.15000 UNCH C7 10
2 10 1 12 2 19 1 0 0 0 0 0 0 4.933850 0.833761 19.412001 1XA 0 -0.15000 -0.15000 UNCH C8 11
2 11 2 13 1 15 1 0 0 0 0 0 0 5.598650 1.647250 20.340599 1XA 0 0.13300 0.13300 UNCH C9 12
2 12 1 14 2 20 1 0 0 0 0 0 0 6.909800 2.079370 20.100300 1XA 0 -0.15000 -0.15000 UNCH C10 13
2 9 1 13 2 21 1 0 0 0 0 0 0 7.553160 1.698850 18.918699 1XA 0 -0.15000 -0.15000 UNCH C11 14
31 12 1 16 1 17 2 0 0 0 0 0 0 4.916520 2.044000 21.579399 1XA 0 0.90700 0.90700 UNCH N2 15
18 15 1 0 0 0 0 0 0 0 0 0 0 5.535000 2.768080 22.372200 1XA 0 -0.52000 -0.52000 UNCH O3 16
15 15 2 0 0 0 0 0 0 0 0 0 0 3.761330 1.631950 21.757799 1XA 0 -0.52000 -0.52000 UNCH O4 17
41 10 1 0 0 0 0 0 0 0 0 0 0 5.072450 -0.188796 17.524900 1XA 0 0.15000 0.15000 UNCH H1 18
41 11 1 0 0 0 0 0 0 0 0 0 0 3.919510 0.482733 19.591700 1XA 0 0.15000 0.15000 UNCH H2 19
41 13 1 0 0 0 0 0 0 0 0 0 0 7.442410 2.702920 20.815701 1XA 0 0.15000 0.15000 UNCH H3 20
41 14 1 0 0 0 0 0 0 0 0 0 0 8.575560 2.024910 18.732500 1XA 0 0.15000 0.15000 UNCH H4 21
41 3 1 0 0 0 0 0 0 0 0 0 0 4.024420 1.460830 14.516100 1XA 0 0.00000 0.00000 UNCH H5 22
41 3 1 0 0 0 0 0 0 0 0 0 0 4.500060 -0.194900 14.928800 1XA 0 0.00000 0.00000 UNCH H6 23
41 4 1 0 0 0 0 0 0 0 0 0 0 4.725020 0.168202 12.455500 1XA 0 0.00000 0.00000 UNCH H7 24
41 4 1 0 0 0 0 0 0 0 0 0 0 5.721350 1.601360 12.751600 1XA 0 0.00000 0.00000 UNCH H8 25
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25 1 1 3 1 5 1 0 0 0 0 0 0 9.362870 7.237260 2.730920 1XA 0 -0.43200 -0.43200 UNCH N1 4
3 4 1 6 1 12 1 13 1 0 0 0 0 10.209400 8.429420 2.460440 1XA 0 0.41350 0.41350 UNCH C1 5
2 5 1 7 2 11 1 0 0 0 0 0 0 9.477780 9.150180 1.347060 1XA 0 -0.14350 -0.14350 UNCH C2 6
2 6 2 8 1 15 1 0 0 0 0 0 0 9.665680 10.454400 0.898090 1XA 0 -0.15000 -0.15000 UNCH C3 7
2 7 1 9 2 16 1 0 0 0 0 0 0 8.917510 10.908300 -0.191427 1XA 0 -0.15000 -0.15000 UNCH C4 8
2 8 2 10 1 17 1 0 0 0 0 0 0 7.999950 10.062600 -0.829448 1XA 0 -0.15000 -0.15000 UNCH C5 9
2 9 1 11 2 18 1 0 0 0 0 0 0 7.815280 8.753990 -0.380493 1XA 0 -0.15000 -0.15000 UNCH C6 10
2 1 1 6 1 10 2 0 0 0 0 0 0 8.554150 8.314990 0.709865 1XA 0 0.06400 0.06400 UNCH C7 11
3 5 1 19 1 20 1 21 1 0 0 0 0 10.288500 9.259290 3.747140 1XA 0 0.00000 0.00000 UNCH C8 12
3 5 1 22 1 23 1 24 1 0 0 0 0 11.629700 8.087550 1.963970 1XA 0 0.00000 0.00000 UNCH C9 13
42 3 1 0 0 0 0 0 0 0 0 0 0 9.693680 5.869640 4.010960 1XA 0 0.40000 0.40000 UNCH H1 14
41 7 1 0 0 0 0 0 0 0 0 0 0 10.389600 11.112600 1.369180 1XA 0 0.15000 0.15000 UNCH H2 15
41 8 1 0 0 0 0 0 0 0 0 0 0 9.056410 11.923500 -0.556579 1XA 0 0.15000 0.15000 UNCH H3 16
41 9 1 0 0 0 0 0 0 0 0 0 0 7.433350 10.426800 -1.683260 1XA 0 0.15000 0.15000 UNCH H4 17
41 10 1 0 0 0 0 0 0 0 0 0 0 7.112030 8.093580 -0.878178 1XA 0 0.15000 0.15000 UNCH H5 18
41 12 1 0 0 0 0 0 0 0 0 0 0 9.293520 9.572800 4.086090 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 3.603090 1XA 0 0.00000 0.00000 UNCH H7 20
41 12 1 0 0 0 0 0 0 0 0 0 0 10.754900 8.689870 4.559630 1XA 0 0.00000 0.00000 UNCH H8 21
41 13 1 0 0 0 0 0 0 0 0 0 0 11.609200 7.448890 1.072770 1XA 0 0.00000 0.00000 UNCH H9 22
41 13 1 0 0 0 0 0 0 0 0 0 0 12.183900 8.995290 1.695860 1XA 0 0.00000 0.00000 UNCH H10 23
41 13 1 0 0 0 0 0 0 0 0 0 0 12.214200 7.571440 2.734110 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 -2.897820 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 -5.331850 10.796500 3.430850 1XA 0 -0.29000 -0.29000 UNCH CL3 3
57 19 1 0 0 0 0 0 0 0 0 0 0 1.391810 9.614960 2.375070 1XA 0 -0.29000 -0.29000 UNCH CL4 4
57 19 1 0 0 0 0 0 0 0 0 0 0 1.802770 7.803170 4.621820 1XA 0 -0.29000 -0.29000 UNCH CL5 5
57 19 1 0 0 0 0 0 0 0 0 0 0 0.829162 6.790770 2.080880 1XA 0 -0.29000 -0.29000 UNCH CL6 6
57 20 1 0 0 0 0 0 0 0 0 0 0 -2.473070 10.691800 8.010340 1XA 0 -0.29000 -0.29000 UNCH CL7 7
57 20 1 0 0 0 0 0 0 0 0 0 0 0.432499 10.474600 7.911020 1XA 0 -0.29000 -0.29000 UNCH CL8 8
57 20 1 0 0 0 0 0 0 0 0 0 0 -1.138230 8.362420 9.115490 1XA 0 -0.29000 -0.29000 UNCH CL9 9
53 12 1 13 1 14 1 0 0 0 0 0 0 -2.776270 7.250990 4.937700 1XA 0 0.30300 0.30300 UNCH P1 10
53 15 1 16 1 17 1 0 0 0 0 0 0 -1.047690 9.949900 4.818160 1XA 0 -0.50070 -0.50070 UNCH P2 11
16 10 1 15 1 0 0 0 0 0 0 0 0 -3.417160 8.533320 4.180400 1XA 0 -0.38100 -0.38100 UNCH O1 12
16 10 1 16 1 0 0 0 0 0 0 0 0 -1.329380 7.197380 4.208170 1XA 0 -0.38100 -0.38100 UNCH O2 13
16 10 1 17 1 0 0 0 0 0 0 0 0 -2.350380 7.945700 6.339340 1XA 0 -0.38100 -0.38100 UNCH O3 14
3 11 1 12 1 18 1 21 1 0 0 0 0 -2.974890 9.862220 4.530600 1XA 0 0.44690 0.44690 UNCH C1 15
3 11 1 13 1 19 1 22 1 0 0 0 0 -0.762404 8.406620 3.659990 1XA 0 0.44690 0.44690 UNCH C2 16
3 11 1 14 1 20 1 23 1 0 0 0 0 -1.187190 8.799470 6.387090 1XA 0 0.44690 0.44690 UNCH C3 17
3 1 1 2 1 3 1 15 1 0 0 0 0 -3.532240 10.918400 3.515210 1XA 0 0.87000 0.87000 UNCH C4 18
3 4 1 5 1 6 1 16 1 0 0 0 0 0.728428 8.177070 3.233520 1XA 0 0.87000 0.87000 UNCH C5 19
3 7 1 8 1 9 1 17 1 0 0 0 0 -1.108130 9.553780 7.758910 1XA 0 0.87000 0.87000 UNCH C6 20
41 15 1 0 0 0 0 0 0 0 0 0 0 -3.432270 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 -1.306830 8.623550 2.733950 1XA 0 0.00000 0.00000 UNCH H2 22
41 17 1 0 0 0 0 0 0 0 0 0 0 -0.308846 8.144820 6.356360 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 -1.718940 3.628240 8.807810 1XA 0 -0.65000 -0.65000 CHGB O1 1
15 9 2 0 0 0 0 0 0 0 0 0 0 -1.098460 3.019600 6.752710 1XA 0 -0.57000 -0.57000 CHGB O2 2
16 10 1 18 1 0 0 0 0 0 0 0 0 -0.684464 -1.761060 8.844940 1XA 0 -0.68000 -0.68000 CHGB O3 3
32 5 1 19 1 20 1 21 1 0 0 0 0 -0.322589 0.457559 7.617360 1XA 0 -0.82200 -0.82200 CHGB N1 4
3 4 1 6 1 8 1 9 1 0 0 0 0 -1.292310 1.217080 8.463630 1XA 0 0.52500 0.52500 CHGB C1 5
3 5 1 7 1 11 1 12 1 0 0 0 0 -2.635890 0.455536 8.617230 1XA 0 0.00000 0.00000 CHGB C2 6
3 6 1 8 1 10 1 13 1 0 0 0 0 -2.116640 -0.144829 9.947990 1XA 0 0.00000 0.00000 CHGB C3 7
3 5 1 7 1 14 1 15 1 0 0 0 0 -1.042110 0.972719 9.974870 1XA 0 0.00000 0.00000 CHGB C4 8
2 1 1 2 2 5 1 0 0 0 0 0 0 -1.364510 2.689150 7.904500 1XA 0 0.66700 0.66700 CHGB C5 9
3 3 1 7 1 16 1 17 1 0 0 0 0 -1.624560 -1.589300 9.913680 1XA 0 0.28000 0.28000 CHGB C6 10
41 6 1 0 0 0 0 0 0 0 0 0 0 -3.502160 1.115370 8.750080 1XA 0 0.00000 0.00000 CHGB H1 11
41 6 1 0 0 0 0 0 0 0 0 0 0 -2.879720 -0.264522 7.829570 1XA 0 0.00000 0.00000 CHGB H2 12
41 7 1 0 0 0 0 0 0 0 0 0 0 -2.844670 -0.040414 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 1.813630 10.622300 1XA 0 0.00000 0.00000 CHGB H4 14
41 8 1 0 0 0 0 0 0 0 0 0 0 -0.031990 0.654916 10.253100 1XA 0 0.00000 0.00000 CHGB H5 15
41 10 1 0 0 0 0 0 0 0 0 0 0 -1.129740 -1.849530 10.854600 1XA 0 0.00000 0.00000 CHGB H6 16
41 10 1 0 0 0 0 0 0 0 0 0 0 -2.461210 -2.275800 9.750170 1XA 0 0.00000 0.00000 CHGB H7 17
42 3 1 0 0 0 0 0 0 0 0 0 0 -0.429432 -2.709850 8.894880 1XA 0 0.40000 0.40000 CHGB H8 18
44 4 1 0 0 0 0 0 0 0 0 0 0 0.635099 0.814440 7.705450 1XA 0 0.45000 0.45000 CHGB H9 19
44 4 1 0 0 0 0 0 0 0 0 0 0 -0.574508 0.510480 6.621110 1XA 0 0.45000 0.45000 CHGB H10 20
44 4 1 0 0 0 0 0 0 0 0 0 0 -0.309471 -0.546049 7.896580 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 8.330210 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 -0.306425 2.255030 1XA 0 -0.69600 -0.69600 UNCH N1 1
2 1 2 3 1 4 1 0 0 0 0 0 0 -0.442522 -1.592360 2.228630 1XA 0 0.37460 0.37460 UNCH C1 2
3 2 1 15 1 16 1 17 1 0 0 0 0 -1.849560 -2.111850 2.195380 1XA 0 0.06100 0.06100 UNCH C2 3
2 2 1 5 1 10 2 0 0 0 0 0 0 0.722464 -2.484820 2.252500 1XA 0 0.02880 0.02880 UNCH C3 4
2 4 1 6 2 7 1 0 0 0 0 0 0 0.819039 -3.944440 2.274030 1XA 0 0.70560 0.70560 UNCH C4 5
15 5 2 0 0 0 0 0 0 0 0 0 0 1.830490 -4.558430 2.585660 1XA 0 -0.57000 -0.57000 UNCH O1 6
16 5 1 8 1 0 0 0 0 0 0 0 0 -0.353235 -4.508230 1.896660 1XA 0 -0.43000 -0.43000 UNCH O2 7
3 7 1 9 1 18 1 19 1 0 0 0 0 -0.342154 -5.941470 1.876530 1XA 0 0.28000 0.28000 UNCH C5 8
3 8 1 20 1 21 1 22 1 0 0 0 0 -1.716100 -6.416270 1.445760 1XA 0 0.00000 0.00000 UNCH C6 9
2 4 2 11 1 12 1 0 0 0 0 0 0 1.751870 -1.630080 2.296180 1XA 0 -0.03820 -0.03820 UNCH C7 10
25 10 1 23 1 24 1 0 0 0 0 0 0 3.108480 -1.899720 2.388300 1XA |
