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root/group/trunk/OOPSE-1.0/samples/alkane/butane.eor
Revision: 1334
Committed: Fri Jul 16 18:58:03 2004 UTC (21 years, 2 months ago) by gezelter
File size: 2909 byte(s)
Log Message: 
Initial import of OOPSE-1.0 source tree

File Contents

# User Rev Content
1 gezelter 1334 128
2     10000; 20 0 0; 0 20 0; 0 0 20;
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7     CH3 11.138898 40.608796 10.574214 -0.000872 0.004800 -0.003364 0.0 0.0 0.0 0.0 0.0 0.0 0.0
8     CH3 5.031079 -7.627682 13.212719 -0.000734 -0.000462 0.001480 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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10     CH3 6.745424 14.163901 38.706730 0.000684 0.003055 -0.001309 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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27     CH3 -1.132677 -20.175970 2.856121 0.006256 0.004982 -0.003937 0.0 0.0 0.0 0.0 0.0 0.0 0.0
28     CH3 11.245724 27.176945 -29.940861 -0.001328 0.001840 0.001369 0.0 0.0 0.0 0.0 0.0 0.0 0.0
29     CH3 28.540959 1.715765 6.876504 0.003149 -0.001022 -0.003267 0.0 0.0 0.0 0.0 0.0 0.0 0.0
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33     CH3 19.475198 8.962840 31.760169 -0.001637 -0.006214 -0.002896 0.0 0.0 0.0 0.0 0.0 0.0 0.0
34     CH3 19.902854 14.185642 28.121391 -0.001526 0.002279 -0.004039 0.0 0.0 0.0 0.0 0.0 0.0 0.0