@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444877
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    24.5276   -10.2619     0.9454	O.2	1	noname	-0.3010
2	C1    23.4715   -10.6869     1.3995	C.2	1	noname	0.0595
3	C2    22.3134    -9.9738     1.1395	C.2	1	noname	-0.0174
4	C3    23.4694   -11.8069     2.1616	C.2	1	noname	0.0101
5	C4    21.1203   -10.6288     0.7586	C.2	1	noname	-0.0205
6	C5    22.3093    -8.5647     1.2406	C.2	1	noname	-0.0205
7	C6    24.5524   -12.5619     2.3676	C.2	1	noname	-0.0561
8	C7    19.9522    -9.8947     0.4936	C.2	1	noname	-0.0482
9	C8    21.1413    -7.8286     0.9746	C.2	1	noname	-0.0482
10	C9    19.9622    -8.4936     0.6016	C.2	1	noname	-0.0437
11	H1    22.6264   -12.0949     2.5996	H	1	noname	0.0657
12	H2    21.0982   -11.6458     0.6686	H	1	noname	0.0630
13	H3    23.1603    -8.0676     1.5106	H	1	noname	0.0630
14	H4    24.4874   -13.3688     2.9377	H	1	noname	0.0539
15	H5    25.4244   -12.3258     1.9597	H	1	noname	0.0539
16	H6    19.0961   -10.3776     0.2196	H	1	noname	0.0622
17	H7    21.1502    -6.8115     1.0517	H	1	noname	0.0622
18	H8    19.1141    -7.9605     0.4077	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	2
7	4	11	1
8	5	8	1
9	5	12	1
10	6	9	2
11	6	13	1
12	7	14	1
13	7	15	1
14	8	10	2
15	8	16	1
16	9	10	1
17	9	17	1
18	10	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1