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@<TRIPOS>MOLECULE
****
8 7 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C1 0.0342395 2.0319 0.250974 C.4 0 **** 0
2 C2 0.0117961 0.525343 0.315145 C.4 0 **** 0
3 H3 1.03424 2.0319 0.250974 H 0 **** 0
4 H4 0.0342395 3.0319 0.250974 H 0 **** 0
5 H5 0.0342395 2.0319 1.25097 H 0 **** 0
6 H6 1.0118 0.525343 0.315145 H 0 **** 0
7 H7 0.0117961 1.52534 0.315145 H 0 **** 0
8 H8 0.0117961 0.525343 1.31515 H 0 **** 0
@<TRIPOS>BOND
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 1
7 2 8 1
@<TRIPOS>SUBSTRUCTURE
1 **** 1
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