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CCL thiophene.mm2 | |||
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thiophene - sample mm2 input file 1 9 0 0 5.00
TT T T 01
1 0.00008 4 0 0 0 0 0 0 0 1 0
1 3 7 5 2 1
1 4 2 6 5 8 7 9
1.24160 0.56080 0.00010 2( 1)
0.73460 -0.67460 -0.00020 2( 2)
0.00000 1.83780 -0.00140 15( 3)
2.30930 0.77770 0.00090 5( 4)
-0.73460 -0.67450 -0.00010 2( 5)
1.33660 -1.58290 -0.00010 5( 6)
-1.24160 0.56070 0.00010 2( 7)
-1.33670 -1.58290 -0.00040 5( 8)
-2.30930 0.77780 0.00100 5( 9)
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| Modified: Tue Apr 14 16:00:00 1992 GMT |
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