@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3768
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.4437     2.6645     0.5325	S.3	1	noname	-0.1913
2	C1    -0.1447     0.9606     0.4135	C.2	1	noname	0.0344
3	C2    -2.1217     2.3106     0.2675	C.2	1	noname	0.0226
4	C3     1.0981     0.3206     0.5216	C.2	1	noname	0.0604
5	C4    -1.2738     0.1736     0.1846	C.2	1	noname	0.0482
6	C5    -2.4188     0.9526     0.0995	C.2	1	noname	0.0251
7	C6    -3.1448     3.2706     0.2146	C.2	1	noname	-0.0162
8	N1     1.1360    -1.0342     0.4046	N.2	1	noname	-0.2181
9	N2     2.2020     1.0766     0.7496	N.3	1	noname	0.0087
10	N3    -1.1818    -1.1722     0.0726	N.2	1	noname	-0.2306
11	C7    -3.7388     0.5237    -0.1243	C.2	1	noname	-0.0171
12	C8    -4.4708     2.8526    -0.0092	C.2	1	noname	-0.0391
13	C9     0.0240    -1.7811     0.1837	C.2	1	noname	0.0464
14	C10     3.4749     0.6227     0.8857	C.2	1	noname	-0.0335
15	C11    -4.7688     1.4848    -0.1782	C.2	1	noname	-0.0202
16	C12     4.0359    -0.3591     0.0407	C.2	1	noname	-0.0632
17	C13     4.2769     1.2027     1.8867	C.2	1	noname	-0.0666
18	N4    -6.0359     1.0958    -0.3912	N.3	1	noname	-0.1544
19	C14     5.3688    -0.7801     0.2088	C.2	1	noname	-0.0605
20	C15     5.6088     0.7898     2.0608	C.2	1	noname	-0.0649
21	C16     6.1518    -0.2010     1.2269	C.2	1	noname	-0.0878
22	C17     5.9218    -1.8130    -0.6810	C.3	1	noname	-0.0017
23	H1    -2.9299     4.2606     0.3366	H	1	noname	0.0638
24	H2     2.0620     2.0277     0.8727	H	1	noname	0.1357
25	H3    -3.9479    -0.4682    -0.2452	H	1	noname	0.0646
26	H4    -5.2178     3.5477    -0.0492	H	1	noname	0.0639
27	H5     0.0960    -2.7951     0.1007	H	1	noname	0.1062
28	H6     3.4729    -0.7671    -0.7061	H	1	noname	0.0642
29	H7     3.8918     1.9258     2.4958	H	1	noname	0.0639
30	H8    -6.2419     0.1549    -0.5081	H	1	noname	0.1242
31	H9    -6.7469     1.7539    -0.4271	H	1	noname	0.1242
32	H10     6.1817     1.2098     2.7928	H	1	noname	0.0623
33	H11     7.1197    -0.4970     1.3599	H	1	noname	0.0625
34	H12     6.9597    -2.0360    -0.4300	H	1	noname	0.0279
35	H13     5.3347    -2.7280    -0.5860	H	1	noname	0.0279
36	H14     5.8787    -1.4670    -1.7140	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	23	1
14	8	13	2
15	9	14	1
16	9	24	1
17	10	13	1
18	11	15	2
19	11	25	1
20	12	15	1
21	12	26	1
22	13	27	1
23	14	16	2
24	14	17	1
25	15	18	1
26	16	19	1
27	16	28	1
28	17	20	2
29	17	29	1
30	18	30	1
31	18	31	1
32	19	21	2
33	19	22	1
34	20	21	1
35	20	32	1
36	21	33	1
37	22	34	1
38	22	35	1
39	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1