@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3920
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.0461     1.0544     1.5819	O.3	1	noname	-0.2710
2	C1    -2.7261     1.1814     1.2519	C.2	1	noname	0.0197
3	C2    -4.5651     0.0314     2.4399	C.3	1	noname	0.0586
4	C3    -1.7461     0.2055     1.5420	C.2	1	noname	0.0240
5	C4    -2.3551     2.3545     0.5579	C.2	1	noname	-0.0108
6	C5    -4.1702     0.2845     3.9040	C.3	1	noname	-0.0384
7	C6    -6.0942     0.0505     2.3149	C.3	1	noname	-0.0384
8	C7    -0.4222     0.4355     1.1390	C.2	1	noname	0.0184
9	C8    -1.0212     2.5735     0.1600	C.2	1	noname	-0.0190
10	N1     0.6507    -0.3483     1.2871	N.2	1	noname	-0.2396
11	C9    -0.0522     1.6006     0.4701	C.2	1	noname	-0.0538
12	C10     1.6657     0.3246     0.7161	C.2	1	noname	-0.0346
13	N2     1.2717     1.5196     0.2161	N.3	1	noname	-0.0190
14	C11     2.0866     2.4257    -0.4137	C.2	1	noname	-0.0236
15	C12     1.9716     3.8137    -0.1687	C.2	1	noname	-0.0547
16	C13     3.0866     1.9887    -1.3127	C.2	1	noname	-0.0547
17	C14     2.8135     4.7347    -0.8137	C.2	1	noname	-0.0619
18	C15     3.9305     2.9077    -1.9596	C.2	1	noname	-0.0619
19	C16     3.7925     4.2818    -1.7116	C.2	1	noname	-0.0850
20	H1    -4.2122    -0.9524     2.1260	H	1	noname	0.0602
21	H2    -1.9872    -0.6564     2.0290	H	1	noname	0.0673
22	H3    -3.0642     3.0536     0.3370	H	1	noname	0.0650
23	H4    -4.6232    -0.4744     4.5430	H	1	noname	0.0257
24	H5    -3.0882     0.2395     4.0150	H	1	noname	0.0257
25	H6    -4.5202     1.2705     4.2130	H	1	noname	0.0257
26	H7    -6.5262    -0.7254     2.9480	H	1	noname	0.0257
27	H8    -6.4782     1.0235     2.6210	H	1	noname	0.0257
28	H9    -6.3743    -0.1364     1.2780	H	1	noname	0.0257
29	H10    -0.7732     3.4196    -0.3509	H	1	noname	0.0644
30	H11     2.6226    -0.0302     0.6812	H	1	noname	0.1019
31	H12     1.2795     4.1598     0.4962	H	1	noname	0.0642
32	H13     3.1975     0.9938    -1.5097	H	1	noname	0.0642
33	H14     2.7175     5.7328    -0.6246	H	1	noname	0.0623
34	H15     4.6435     2.5748    -2.6096	H	1	noname	0.0623
35	H16     4.4044     4.9498    -2.1806	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	7	1
7	3	20	1
8	4	8	1
9	4	21	1
10	5	9	2
11	5	22	1
12	6	23	1
13	6	24	1
14	6	25	1
15	7	26	1
16	7	27	1
17	7	28	1
18	8	10	1
19	8	11	2
20	9	11	1
21	9	29	1
22	10	12	2
23	11	13	1
24	12	13	1
25	12	30	1
26	13	14	1
27	14	15	2
28	14	16	1
29	15	17	1
30	15	31	1
31	16	18	2
32	16	32	1
33	17	19	2
34	17	33	1
35	18	19	1
36	18	34	1
37	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1