@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3925
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.0480     0.5273     1.3187	O.3	1	noname	-0.2710
2	C1    -2.7540     0.7653     0.9887	C.2	1	noname	0.0196
3	C2    -4.4090     0.6134     2.6997	C.3	1	noname	0.0816
4	C3    -1.8321    -0.2995     0.9508	C.2	1	noname	0.0240
5	C4    -2.3381     2.0783     0.6808	C.2	1	noname	-0.0108
6	C5    -5.9080     0.3254     2.8568	C.3	1	noname	0.1010
7	C6    -0.5021    -0.0194     0.6048	C.2	1	noname	0.0184
8	C7    -0.9982     2.3424     0.3338	C.2	1	noname	-0.0190
9	O2    -6.2701     0.4555     4.2248	O.3	1	noname	-0.3882
10	C8    -6.2491    -1.0934     2.3798	C.3	1	noname	0.0715
11	N1     0.5407    -0.8524     0.5279	N.2	1	noname	-0.2396
12	C9    -0.0832     1.2715     0.2889	C.2	1	noname	-0.0538
13	O3    -7.6361    -1.3413     2.5699	O.3	1	noname	-0.3935
14	C10     1.5856    -0.0834     0.1709	C.2	1	noname	-0.0346
15	N2     1.2366     1.2145     0.0089	N.3	1	noname	-0.0190
16	C11     2.0856     2.2256    -0.3639	C.2	1	noname	-0.0236
17	C12     3.4015     2.2856     0.1490	C.2	1	noname	-0.0547
18	C13     1.6835     3.2196    -1.2859	C.2	1	noname	-0.0547
19	C14     4.2824     3.3117    -0.2328	C.2	1	noname	-0.0619
20	C15     2.5615     4.2466    -1.6708	C.2	1	noname	-0.0619
21	C16     3.8614     4.2947    -1.1428	C.2	1	noname	-0.0850
22	H1    -3.8410    -0.1125     3.2858	H	1	noname	0.0600
23	H2    -4.2040     1.6174     3.0778	H	1	noname	0.0600
24	H3    -2.1231    -1.2515     1.1768	H	1	noname	0.0673
25	H4    -3.0121     2.8434     0.7138	H	1	noname	0.0650
26	H5    -6.4761     1.0474     2.2679	H	1	noname	0.0649
27	H6    -0.7032     3.2954     0.1269	H	1	noname	0.0644
28	H7    -7.2111     0.2435     4.4029	H	1	noname	0.2106
29	H8    -6.0081    -1.1923     1.3209	H	1	noname	0.0591
30	H9    -5.6721    -1.8214     2.9509	H	1	noname	0.0591
31	H10    -7.9302    -2.2323     2.2839	H	1	noname	0.2101
32	H11     2.5286    -0.4513     0.0280	H	1	noname	0.1019
33	H12     3.7215     1.5817     0.8160	H	1	noname	0.0642
34	H13     0.7505     3.1896    -1.6968	H	1	noname	0.0642
35	H14     5.2264     3.3427     0.1511	H	1	noname	0.0623
36	H15     2.2554     4.9566    -2.3378	H	1	noname	0.0623
37	H16     4.5003     5.0398    -1.4217	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	22	1
7	3	23	1
8	4	7	1
9	4	24	1
10	5	8	2
11	5	25	1
12	6	9	1
13	6	10	1
14	6	26	1
15	7	11	1
16	7	12	2
17	8	12	1
18	8	27	1
19	9	28	1
20	10	13	1
21	10	29	1
22	10	30	1
23	11	14	2
24	12	15	1
25	13	31	1
26	14	15	1
27	14	32	1
28	15	16	1
29	16	17	2
30	16	18	1
31	17	19	1
32	17	33	1
33	18	20	2
34	18	34	1
35	19	21	2
36	19	35	1
37	20	21	1
38	20	36	1
39	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1