@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3530
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.3614     0.0000    -0.5226	O.3	1	noname	-0.2629
2	C1    -3.2214     0.5410     0.0063	C.2	1	noname	0.0600
3	C2    -4.8024    -1.3280    -0.2226	C.3	1	noname	0.0424
4	C3    -2.8974     1.8621    -0.3636	C.2	1	noname	0.0453
5	C4    -2.3764    -0.1628     0.8894	C.2	1	noname	0.0378
6	O2    -3.7474     2.5022    -1.2236	O.3	1	noname	-0.2654
7	C5    -1.7324     2.4681     0.1544	C.2	1	noname	0.0264
8	C6    -1.2174     0.4401     1.4025	C.2	1	noname	0.0462
9	C7    -3.5215     3.8332    -1.6955	C.3	1	noname	0.0424
10	C8    -0.8844     1.7671     1.0375	C.2	1	noname	-0.0128
11	N1    -0.4214    -0.2578     2.2465	N.2	1	noname	-0.2521
12	C9     0.2955     2.3122     1.5906	C.2	1	noname	0.0373
13	C10     0.7045     0.2822     2.7626	C.2	1	noname	0.0406
14	N2     1.0434     1.5472     2.4276	N.2	1	noname	-0.2424
15	N3     0.6804     3.5803     1.2716	N.3	1	noname	0.0037
16	C11     1.7854     4.2313     1.7196	C.2	1	noname	-0.0315
17	C12     2.5224     4.9904     0.7896	C.2	1	noname	-0.0582
18	C13     2.1894     4.2254     3.0727	C.2	1	noname	-0.0582
19	C14     3.6604     5.7074     1.1947	C.2	1	noname	-0.0630
20	C15     3.3284     4.9404     3.4798	C.2	1	noname	-0.0630
21	C16     4.0664     5.6804     2.5397	C.2	1	noname	-0.0831
22	H1    -5.7285    -1.5209    -0.7636	H	1	noname	0.0535
23	H2    -4.0524    -2.0559    -0.5355	H	1	noname	0.0535
24	H3    -4.9915    -1.4309     0.8474	H	1	noname	0.0535
25	H4    -2.6034    -1.1198     1.1604	H	1	noname	0.0674
26	H5    -1.5055     3.4252    -0.1155	H	1	noname	0.0659
27	H6    -4.3305     4.1073    -2.3735	H	1	noname	0.0535
28	H7    -3.5095     4.5343    -0.8595	H	1	noname	0.0535
29	H8    -2.5755     3.8873    -2.2355	H	1	noname	0.0535
30	H9     1.2925    -0.2587     3.3976	H	1	noname	0.1062
31	H10     0.1364     4.0523     0.6236	H	1	noname	0.1357
32	H11     2.2334     5.0184    -0.1892	H	1	noname	0.0639
33	H12     1.6533     3.7024     3.7668	H	1	noname	0.0639
34	H13     4.1924     6.2485     0.5127	H	1	noname	0.0623
35	H14     3.6173     4.9265     4.4578	H	1	noname	0.0623
36	H15     4.8933     6.2005     2.8348	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	22	1
6	3	23	1
7	3	24	1
8	4	6	1
9	4	7	2
10	5	8	1
11	5	25	1
12	6	9	1
13	7	10	1
14	7	26	1
15	8	11	2
16	8	10	1
17	9	27	1
18	9	28	1
19	9	29	1
20	10	12	2
21	11	13	1
22	12	14	1
23	12	15	1
24	13	14	2
25	13	30	1
26	15	16	1
27	15	31	1
28	16	17	2
29	16	18	1
30	17	19	1
31	17	32	1
32	18	20	2
33	18	33	1
34	19	21	2
35	19	34	1
36	20	21	1
37	20	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1