@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4044
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.7047    -0.8809    -2.7327	S.2	1	noname	-0.1113
2	C1    -0.3773     0.0900    -1.7947	C.2	1	noname	0.0805
3	N1    -1.7124     0.1611    -2.0036	N.3	1	noname	-0.1401
4	C2     0.0676     0.9301    -0.6696	C.3	1	noname	0.1069
5	C3    -2.2374     1.0091    -1.1096	C.2	1	noname	0.0456
6	C4    -2.4504    -0.5338    -2.9996	C.3	1	noname	-0.0014
7	C5    -1.2264     1.5041    -0.2895	C.2	1	noname	0.0086
8	C6     0.6985     0.1431     0.4034	C.2	1	noname	0.1359
9	N2    -3.5265     1.3932    -0.9405	N.2	1	noname	-0.2319
10	C7    -1.5414     2.4252     0.7214	C.2	1	noname	-0.0256
11	O1     1.8475     0.4762     0.7734	O.2	1	noname	-0.2712
12	N3     0.0175    -0.8818     0.9865	N.3	1	noname	-0.1369
13	C8    -3.8695     2.2802     0.0334	C.2	1	noname	0.0030
14	C9    -2.8835     2.8172     0.8855	C.2	1	noname	-0.0301
15	C10     0.4504    -1.6788     1.9985	C.2	1	noname	-0.0224
16	C11    -0.5085    -2.1197     2.9316	C.2	1	noname	-0.0365
17	C12     1.7854    -2.1187     2.1296	C.2	1	noname	-0.0365
18	C13    -0.1386    -2.9657     3.9917	C.2	1	noname	-0.0545
19	C14     2.1574    -2.9647     3.1887	C.2	1	noname	-0.0545
20	C15     1.1953    -3.3867     4.1217	C.2	1	noname	-0.0622
21	H1     0.7405     1.7111    -1.0265	H	1	noname	0.0519
22	H2    -2.9504     0.1842    -3.6516	H	1	noname	0.0403
23	H3    -3.2024    -1.1648    -2.5236	H	1	noname	0.0403
24	H4    -1.7984    -1.1637    -3.6076	H	1	noname	0.0403
25	H5    -0.8115     2.8002     1.3285	H	1	noname	0.0627
26	H6    -0.8885    -1.0278     0.6755	H	1	noname	0.1371
27	H7    -4.8446     2.5572     0.1455	H	1	noname	0.0839
28	H8    -3.1396     3.4833     1.6155	H	1	noname	0.0638
29	H9    -1.4806    -1.8227     2.8456	H	1	noname	0.0639
30	H10     2.4914    -1.8317     1.4506	H	1	noname	0.0639
31	H11    -0.8386    -3.2757     4.6658	H	1	noname	0.0623
32	H12     3.1254    -3.2757     3.2777	H	1	noname	0.0623
33	H13     1.4643    -4.0016     4.8908	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	4	8	1
8	4	21	1
9	5	9	1
10	5	7	2
11	6	22	1
12	6	23	1
13	6	24	1
14	7	10	1
15	8	11	2
16	8	12	1
17	9	13	2
18	10	14	2
19	10	25	1
20	12	15	1
21	12	26	1
22	13	14	1
23	13	27	1
24	14	28	1
25	15	16	2
26	15	17	1
27	16	18	1
28	16	29	1
29	17	19	2
30	17	30	1
31	18	20	2
32	18	31	1
33	19	20	1
34	19	32	1
35	20	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1