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root/group/trunk/OOPSE/samples/alkane/init_butane.eor
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Comparing trunk/OOPSE/samples/alkane/init_butane.eor (file contents):
Revision 397 by gezelter, Tue Mar 25 01:06:10 2003 UTC vs.
Revision 602 by gezelter, Mon Jul 14 23:06:35 2003 UTC

# Line 1 | Line 1
1   128
2 < 20      20      20
2 > 0;      20      0       0;      0       20      0;      0       0       20;
3   CH3     -4.605786       -1.153377       0.626235        0.000960        -0.000109       -0.003493       0.0     0.0     0.0     0.0     0.0     0.0     0.0
4   CH2     -3.181701       -1.194119       1.210976        -0.001906       0.000750        0.003547        0.0     0.0     0.0     0.0     0.0     0.0     0.0
5   CH2     -2.631995       -2.560619       1.660530        -0.001214       0.000067        0.000623        0.0     0.0     0.0     0.0     0.0     0.0     0.0

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