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@<TRIPOS>MOLECULE
CONFAM
10 9 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 S1 -7.6283 -2.7626 15.5257 S 0 CONF -0.38
2 C1 -8.3319 -4.1387 14.9376 C.3 0 CONF 0.59
3 C2 -9.6475 -3.0339 13.2093 C.4 0 CONF 0.28
4 O1 -9.2148 -4.2103 13.9168 O.2 0 CONF -0.43
5 N1 -8.0779 -5.3666 15.4448 N.3 0 CONF -0.8
6 H1 -8.8001 -2.5485 12.7164 H 0 CONF 0
7 H2 -10.1676 -2.3487 13.8851 H 0 CONF 0
8 H3 -10.3535 -3.3544 12.4379 H 0 CONF 0
9 H4 -8.5331 -6.1775 15.0507 H 0 CONF 0.37
10 H5 -7.4349 -5.4778 16.2162 H 0 CONF 0.37
@<TRIPOS>BOND
1 1 2 1
2 2 5 1
3 2 4 1
4 3 8 1
5 3 7 1
6 3 6 1
7 3 4 1
8 5 10 1
9 5 9 1
@<TRIPOS>SUBSTRUCTURE
1 CONF 1
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