@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50446170
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.9244    -6.7104     3.4820	O.2	1	noname	-0.2922
2	C1     5.4894    -5.6184     3.0560	C.2	1	noname	0.0279
3	N1     4.3364    -5.1983     3.5951	N.3	1	noname	-0.0838
4	C2     6.1673    -4.9233     2.0301	C.2	1	noname	0.0321
5	C3     7.2582    -5.4113     1.3161	C.2	1	noname	-0.0006
6	C4     5.9043    -3.6743     1.4511	C.2	1	noname	0.0549
7	N2     7.5712    -4.5153     0.3662	N.3	1	noname	-0.0154
8	N3     7.8742    -6.5892     1.5172	N.3	1	noname	-0.1245
9	N4     6.7762    -3.4963     0.4422	N.2	1	noname	-0.3394
10	C5     4.9642    -2.6783     1.8002	C.2	1	noname	-0.0221
11	C6     8.6152    -4.6222    -0.5946	C.3	1	noname	-0.0232
12	C7     4.7712    -2.2793     3.1402	C.2	1	noname	-0.0142
13	C8     4.2502    -2.0113     0.7833	C.2	1	noname	-0.0231
14	C9     8.0361    -4.6532    -2.0155	C.3	1	noname	-0.0473
15	C10     3.8502    -1.2642     3.4692	C.2	1	noname	-0.0315
16	C11     3.3302    -0.9963     1.0953	C.2	1	noname	-0.0372
17	C12     3.1192    -0.6172     2.4353	C.2	1	noname	-0.0280
18	C13     3.6472    -0.8802     4.8102	C.2	1	noname	-0.0464
19	C14     2.1972     0.3977     2.7633	C.2	1	noname	-0.0454
20	C15     2.7251     0.1317     5.1253	C.2	1	noname	-0.0569
21	C16     2.0021     0.7697     4.1033	C.2	1	noname	-0.0568
22	H1     3.9104    -4.3883     3.2801	H	1	noname	0.1274
23	H2     3.9163    -5.7283     4.2891	H	1	noname	0.1274
24	H3     7.5671    -7.1782     2.2262	H	1	noname	0.1256
25	H4     8.6211    -6.8512     0.9582	H	1	noname	0.1256
26	H5     9.2011    -5.5282    -0.4386	H	1	noname	0.0487
27	H6     9.2761    -3.7602    -0.4976	H	1	noname	0.0487
28	H7     5.3112    -2.7282     3.8842	H	1	noname	0.0636
29	H8     4.3902    -2.2652    -0.1966	H	1	noname	0.0629
30	H9     7.4771    -3.7362    -2.2065	H	1	noname	0.0247
31	H10     7.3711    -5.5101    -2.1215	H	1	noname	0.0247
32	H11     8.8491    -4.7351    -2.7365	H	1	noname	0.0247
33	H12     2.8202    -0.5353     0.3403	H	1	noname	0.0629
34	H13     4.1651    -1.3341     5.5643	H	1	noname	0.0629
35	H14     1.6651     0.8717     2.0314	H	1	noname	0.0629
36	H15     2.5811     0.4058     6.0973	H	1	noname	0.0622
37	H16     1.3330     1.5047     4.3364	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	22	1
5	3	23	1
6	4	5	2
7	4	6	1
8	5	7	1
9	5	8	1
10	6	9	2
11	6	10	1
12	7	11	1
13	7	9	1
14	8	24	1
15	8	25	1
16	10	12	2
17	10	13	1
18	11	14	1
19	11	26	1
20	11	27	1
21	12	15	1
22	12	28	1
23	13	16	2
24	13	29	1
25	14	30	1
26	14	31	1
27	14	32	1
28	15	17	1
29	15	18	2
30	16	17	1
31	16	33	1
32	17	19	2
33	18	20	1
34	18	34	1
35	19	21	1
36	19	35	1
37	20	21	2
38	20	36	1
39	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1