File: AssignBondOrderProcessor_test_C2.mol2

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file content (14 lines) | stat: -rw-r--r-- 203 bytes parent folder | download | duplicates (9) 
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@<TRIPOS>MOLECULE
****
2 1 1
SMALL
USER_CHARGES


@<TRIPOS>ATOM
1 C1 0.0342395 2.0319 0.250974 C 0 **** 0
2 C2 0.0117961 0.525343 0.315145 C 0 **** 0
@<TRIPOS>BOND
1 1 2 1
@<TRIPOS>SUBSTRUCTURE
1 **** 1