@<TRIPOS>MOLECULE
LIG
12 12 1 0 0
SMALL
bcc
@<TRIPOS>ATOM
1 C -1.2130 -0.6880 0.0000 ca 1 LIG -0.130000
2 C1 -1.2030 0.7060 0.0000 ca 1 LIG -0.130000
3 C2 -0.0100 -1.3950 0.0000 ca 1 LIG -0.130000
4 C3 0.0100 1.3950 -0.0000 ca 1 LIG -0.130000
5 C4 1.2030 -0.7060 0.0000 ca 1 LIG -0.130000
6 C5 1.2130 0.6880 0.0000 ca 1 LIG -0.130000
7 H -2.1580 -1.2240 0.0000 ha 1 LIG 0.130000
8 H1 -2.1390 1.2560 0.0000 ha 1 LIG 0.130000
9 H2 -0.0180 -2.4810 -0.0000 ha 1 LIG 0.130000
10 H3 0.0180 2.4810 0.0000 ha 1 LIG 0.130000
11 H4 2.1390 -1.2560 0.0000 ha 1 LIG 0.130000
12 H5 2.1580 1.2240 0.0000 ha 1 LIG 0.130000
@<TRIPOS>BOND
1 1 2 ar
2 1 3 ar
3 1 7 1
4 2 4 ar
5 2 8 1
6 3 5 ar
7 3 9 1
8 4 6 ar
9 4 10 1
10 5 6 ar
11 5 11 1
12 6 12 1
@<TRIPOS>SUBSTRUCTURE
1 LIG 1 TEMP 0 **** **** 0 ROOT