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sources / mdtraj / 1.11.1.post1-2 / tests / data / cl.mol2
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@<TRIPOS>MOLECULE ***** 1 0 0 0 0 SMALL GASTEIGER @<TRIPOS>ATOM 1 CL -1.2092 0.7047 0.0000 Cl 1 UNL1 0.0000 @<TRIPOS>BOND