@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3589
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -5.5585    -0.6069    -0.1733	O.2	1	noname	-0.2760
2	C1    -6.5085    -0.1648    -0.8583	C.2	1	noname	0.1333
3	N1    -6.8475     1.1461    -0.9002	N.3	1	noname	-0.1127
4	C2    -7.2935    -1.1087    -1.6542	C.3	1	noname	0.0099
5	C3    -6.2375     2.1580    -0.2352	C.2	1	noname	0.0524
6	N2    -5.1696     1.9661     0.5837	N.2	1	noname	-0.2209
7	C4    -6.7326     3.4620    -0.4032	C.2	1	noname	0.0431
8	C5    -4.5457     2.9651     1.2557	C.2	1	noname	0.0357
9	C6    -6.1156     4.5260     0.2748	C.2	1	noname	0.0347
10	C7    -5.0057     4.2871     1.1188	C.2	1	noname	0.0230
11	N3    -6.5896     5.7850     0.1178	N.2	1	noname	-0.2422
12	C8    -4.4338     5.4000     1.7668	C.2	1	noname	0.0609
13	C9    -6.0247     6.8390     0.7508	C.2	1	noname	0.0579
14	N4    -4.9618     6.6330     1.5618	N.2	1	noname	-0.2259
15	N5    -3.3689     5.2601     2.5898	N.3	1	noname	-0.0977
16	C10    -2.7559     6.3541     3.2588	C.3	1	noname	0.0265
17	C11    -1.6430     5.8742     4.0988	C.2	1	noname	-0.0486
18	C12    -1.9011     5.0182     5.1898	C.2	1	noname	-0.0531
19	C13    -0.3151     6.2642     3.8319	C.2	1	noname	-0.0531
20	C14    -0.8472     4.5543     5.9958	C.2	1	noname	-0.0594
21	C15     0.7386     5.8013     4.6378	C.2	1	noname	-0.0594
22	C16     0.4726     4.9463     5.7198	C.2	1	noname	-0.0613
23	H1    -7.6015     1.3821    -1.4621	H	1	noname	0.1386
24	H2    -6.9065    -2.1196    -1.5241	H	1	noname	0.0324
25	H3    -8.3345    -1.0797    -1.3321	H	1	noname	0.0324
26	H4    -7.2325    -0.8357    -2.7081	H	1	noname	0.0324
27	H5    -7.5336     3.6381    -1.0121	H	1	noname	0.0679
28	H6    -3.7488     2.7452     1.8537	H	1	noname	0.0848
29	H7    -6.3977     7.7790     0.6189	H	1	noname	0.1062
30	H8    -3.0029     4.3732     2.7298	H	1	noname	0.1300
31	H9    -3.4889     6.8581     3.8928	H	1	noname	0.0482
32	H10    -2.3940     7.0681     2.5149	H	1	noname	0.0482
33	H11    -2.8581     4.7313     5.3968	H	1	noname	0.0626
34	H12    -0.1122     6.8852     3.0469	H	1	noname	0.0626
35	H13    -1.0422     3.9344     6.7828	H	1	noname	0.0622
36	H14     1.6975     6.0863     4.4369	H	1	noname	0.0622
37	H15     1.2385     4.6104     6.3048	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	23	1
6	4	24	1
7	4	25	1
8	4	26	1
9	5	6	1
10	5	7	2
11	6	8	2
12	7	9	1
13	7	27	1
14	8	10	1
15	8	28	1
16	9	11	2
17	9	10	1
18	10	12	2
19	11	13	1
20	12	14	1
21	12	15	1
22	13	14	2
23	13	29	1
24	15	16	1
25	15	30	1
26	16	17	1
27	16	31	1
28	16	32	1
29	17	18	2
30	17	19	1
31	18	20	1
32	18	33	1
33	19	21	2
34	19	34	1
35	20	22	2
36	20	35	1
37	21	22	1
38	21	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1