@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3973
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7973     7.0313    -2.3969	O.2	1	noname	-0.2994
2	C1    -2.0104     5.8073    -2.2579	C.2	1	noname	0.0511
3	N1    -1.5954     5.1912    -1.1348	N.3	1	noname	0.0006
4	C2    -1.7824     3.9022    -0.9107	C.2	1	noname	-0.0898
5	C3    -1.3445     3.3602     0.2313	C.2	1	noname	-0.0321
6	C4    -1.4805     2.0212     0.5464	C.2	1	noname	-0.0073
7	C5    -2.6796     1.3022     0.3284	C.2	1	noname	-0.0073
8	C6    -0.3835     1.3562     1.1334	C.2	1	noname	-0.0148
9	O2    -3.7728     1.9032    -0.1995	O.3	1	noname	-0.2857
10	C7    -2.7637    -0.0588     0.6755	C.2	1	noname	-0.0205
11	C8    -0.4695    -0.0038     1.4795	C.2	1	noname	-0.0124
12	C9    -1.6606    -0.7108     1.2475	C.2	1	noname	-0.0255
13	O3     0.5874    -0.6348     2.0366	O.3	1	noname	-0.2878
14	H1    -2.4954     5.2913    -2.9949	H	1	noname	0.1234
15	H2    -1.1404     5.7223    -0.4627	H	1	noname	0.1361
16	H3    -2.2395     3.3382    -1.5897	H	1	noname	0.0753
17	H4    -0.8695     3.9463     0.8764	H	1	noname	0.0640
18	H5     0.4874     1.8602     1.3075	H	1	noname	0.0657
19	H6    -4.5538     1.3202    -0.2984	H	1	noname	0.2182
20	H7    -3.6298    -0.5748     0.5165	H	1	noname	0.0651
21	H8    -1.7257    -1.6978     1.4986	H	1	noname	0.0650
22	H9     1.3794    -0.0717     2.1636	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	14	1
4	3	4	1
5	3	15	1
6	4	5	2
7	4	16	1
8	5	6	1
9	5	17	1
10	6	7	2
11	6	8	1
12	7	9	1
13	7	10	1
14	8	11	2
15	8	18	1
16	9	19	1
17	10	12	2
18	10	20	1
19	11	13	1
20	11	12	1
21	12	21	1
22	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1