@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3764
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.2634     2.4609    -0.5269	S.3	1	noname	-0.1858
2	C1    -0.0705     0.9440     0.2900	C.2	1	noname	0.0371
3	C2    -1.9754     2.1909    -0.4599	C.2	1	noname	0.0536
4	C3     1.1403     0.3491     0.6700	C.2	1	noname	0.0915
5	C4    -1.2565     0.2761     0.5900	C.2	1	noname	0.0824
6	C5    -2.3605     0.9960     0.1560	C.2	1	noname	0.0494
7	C6    -2.9454     3.0669    -0.9678	C.2	1	noname	0.0047
8	N1     1.0943    -0.8538     1.3051	N.2	1	noname	-0.2089
9	N2     2.2993     0.9921     0.3781	N.3	1	noname	0.0132
10	N3    -1.2496    -0.9188     1.2271	N.2	1	noname	-0.2213
11	C7    -3.7185     0.6531     0.2781	C.2	1	noname	0.0482
12	C8    -4.3064     2.7300    -0.8488	C.2	1	noname	0.0261
13	C9    -0.0726    -1.4887     1.5861	C.2	1	noname	0.0788
14	C10     3.5561     0.5702     0.6721	C.2	1	noname	-0.0335
15	C11    -4.7155     1.5231    -0.2268	C.2	1	noname	0.0402
16	C12     3.9081     0.0012     1.9151	C.2	1	noname	-0.0631
17	C13     4.5581     0.7692    -0.2957	C.2	1	noname	-0.0665
18	N4    -6.0415     1.2081    -0.1158	N.2	1	noname	-0.0147
19	C14     5.2350    -0.3876     2.1822	C.2	1	noname	-0.0605
20	C15     5.8840     0.3843    -0.0396	C.2	1	noname	-0.0649
21	O1    -6.4116     0.1902     0.4082	O.2	1	noname	-0.1447
22	O2    -6.9066     1.9341    -0.5377	O.3	1	noname	-0.1447
23	C16     6.2219    -0.1935     1.1953	C.2	1	noname	-0.0877
24	C17     5.5719    -0.9815     3.4852	C.3	1	noname	-0.0017
25	H1    -2.6665     3.9390    -1.4178	H	1	noname	0.0638
26	H2     2.2242     1.8161    -0.1278	H	1	noname	0.1357
27	H3    -3.9835    -0.2227     0.7311	H	1	noname	0.0654
28	H4    -5.0075     3.3721    -1.2197	H	1	noname	0.0647
29	H5    -0.0647    -2.3896     2.0651	H	1	noname	0.1062
30	H6     3.1961    -0.1246     2.6362	H	1	noname	0.0642
31	H7     4.3240     1.1923    -1.1946	H	1	noname	0.0639
32	H8     6.6029     0.5273    -0.7486	H	1	noname	0.0623
33	H9     7.1868    -0.4705     1.3743	H	1	noname	0.0625
34	H10     6.6348    -1.2235     3.5452	H	1	noname	0.0279
35	H11     5.3288    -0.2765     4.2822	H	1	noname	0.0279
36	H12     4.9959    -1.8964     3.6292	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	2
10	5	6	1
11	6	11	1
12	7	12	2
13	7	25	1
14	8	13	2
15	9	14	1
16	9	26	1
17	10	13	1
18	11	15	2
19	11	27	1
20	12	15	1
21	12	28	1
22	13	29	1
23	14	16	2
24	14	17	1
25	15	18	1
26	16	19	1
27	16	30	1
28	17	20	2
29	17	31	1
30	18	21	2
31	18	22	1
32	19	23	2
33	19	24	1
34	20	23	1
35	20	32	1
36	23	33	1
37	24	34	1
38	24	35	1
39	24	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1