@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4272
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.2340    -2.2718     0.8733	S	1	noname	-0.1245
2	O1     2.4049    -1.5107    -0.2516	O.2	1	noname	-0.3046
3	O2     3.0580    -3.8028     1.2624	O.2	1	noname	-0.3046
4	O3     2.9379    -1.4697     2.2145	O.3	1	noname	-0.3046
5	C1     4.9211    -1.9937     0.5864	C.2	1	noname	0.0768
6	O4     5.9351    -2.7347     1.0944	O.3	1	noname	-0.3371
7	C2     5.4480    -0.9705    -0.1885	C.2	1	noname	0.0324
8	C3     7.1081    -2.2086     0.6595	C.2	1	noname	0.0618
9	C4     6.8241    -1.1075    -0.1445	C.2	1	noname	0.0160
10	C5     8.3821    -2.6636     0.9525	C.2	1	noname	0.0639
11	C6     8.7020    -3.6966     1.7566	C.2	1	noname	0.0861
12	C7     9.9231    -3.9995     1.9367	C.1	1	noname	0.0953
13	C8     7.8619    -4.4226     2.3787	C.1	1	noname	0.0953
14	N1    11.0281    -4.2685     2.0977	N.1	1	noname	-0.1748
15	N2     7.1058    -5.0796     2.9418	N.1	1	noname	-0.1748
16	H1     4.9209    -0.2574    -0.6915	H	1	noname	0.0653
17	H2     7.5041    -0.5064    -0.6125	H	1	noname	0.0651
18	H3     9.1251    -2.1625     0.5176	H	1	noname	0.0671
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	1
6	5	7	2
7	6	8	1
8	7	9	1
9	7	16	1
10	8	10	1
11	8	9	2
12	9	17	1
13	10	11	2
14	10	18	1
15	11	12	1
16	11	13	1
17	12	14	3
18	13	15	3
@<TRIPOS>SUBSTRUCTURE
1	noname	1