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@<TRIPOS>MOLECULE
1
9 8 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 C13 -10.9994 -5.2232 11.8701 C.4 0 **** 0.1382
2 C14 -11.0712 -6.44678 12.7233 C.3 0 **** -0.2882
3 C15 -10.9721 -7.69684 12.2543 C.3 0 **** -0.3
4 H16 -10.1686 -4.58873 12.1941 H 0 **** 0
5 H17 -11.9257 -4.64788 11.964 H 0 **** 0
6 H18 -10.8532 -5.46657 10.8132 H 0 **** 0
7 H19 -11.2132 -6.29029 13.7903 H 0 **** 0.15
8 H20 -11.0321 -8.54789 12.926 H 0 **** 0.15
9 H21 -10.8307 -7.90151 11.1974 H 0 **** 0.15
@<TRIPOS>BOND
1 1 2 2
2 1 4 1
3 1 5 1
4 1 6 1
5 2 3 3
6 2 7 1
7 3 8 1
8 3 9 1
@<TRIPOS>SUBSTRUCTURE
1 **** 1
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