@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4281
23 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     6.0932    -6.2702    -2.1164	S.2	1	noname	0.1225
2	O1     5.4391    -7.6222    -1.5933	O.2	1	noname	-0.3116
3	C1     6.6352    -5.4541    -0.6803	C.2	1	noname	-0.0166
4	C2     7.6042    -6.9341    -2.8424	C.3	1	noname	-0.0010
5	C3     6.0321    -5.7111     0.5647	C.2	1	noname	-0.0193
6	C4     7.6702    -4.5050    -0.7623	C.2	1	noname	-0.0193
7	C5     6.4711    -5.0390     1.7188	C.2	1	noname	-0.0343
8	C6     8.1101    -3.8320     0.3897	C.2	1	noname	-0.0343
9	C7     7.5211    -4.1020     1.6438	C.2	1	noname	-0.0271
10	C8     7.9270    -3.4399     2.7889	C.2	1	noname	0.0195
11	C9     9.1740    -3.4278     3.2990	C.2	1	noname	0.0748
12	C10    10.1630    -4.0498     2.7910	C.1	1	noname	0.0931
13	C11     9.4180    -2.7788     4.3640	C.1	1	noname	0.0931
14	N1    11.0510    -4.6118     2.3281	N.1	1	noname	-0.1751
15	N2     9.6329    -2.1907     5.3261	N.1	1	noname	-0.1751
16	H1     7.3431    -7.5961    -3.6674	H	1	noname	0.0313
17	H2     8.2231    -6.1191    -3.2163	H	1	noname	0.0313
18	H3     8.1571    -7.4971    -2.0894	H	1	noname	0.0313
19	H4     5.2721    -6.3880     0.6317	H	1	noname	0.0630
20	H5     8.1031    -4.3000    -1.6633	H	1	noname	0.0630
21	H6     6.0210    -5.2379     2.6138	H	1	noname	0.0629
22	H7     8.8591    -3.1419     0.3098	H	1	noname	0.0629
23	H8     7.2099    -2.9468     3.2749	H	1	noname	0.0650
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	3	5	2
5	3	6	1
6	4	16	1
7	4	17	1
8	4	18	1
9	5	7	1
10	5	19	1
11	6	8	2
12	6	20	1
13	7	9	2
14	7	21	1
15	8	9	1
16	8	22	1
17	9	10	1
18	10	11	2
19	10	23	1
20	11	12	1
21	11	13	1
22	12	14	3
23	13	15	3
@<TRIPOS>SUBSTRUCTURE
1	noname	1