http://server.ccl.net/cca/software/SOURCES/C/mm2_params/thiophene.para.shtml |
CCL thiophene.para | ||||
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4 1 0 0 4 1 0 0 0 2 15 2 2 0.00000 0.00000 0.00000 2 15 2 5 0.00000 0.00000 0.00000 2 2 2 15 0.00000 16.25000 0.00000 15 2 2 5 0.00000 16.25000 0.00000 2 15 6.00000 1.35500 0.00000 0.00000 0.00000 2 15 0.00100 2 2 15 0.70000 124.30000 0 15 2 5 0.54000 116.40000 0 2 15 2 0.45000 109.47000 0 0 2 15 0.05000 |
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