@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448773
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    13.4371    -9.7834     1.2084	O.3	1	noname	-0.3781
2	C1    12.3040   -10.5534     1.5854	C.3	1	noname	0.1200
3	C2    11.1779    -9.8123     1.3365	C.1	1	noname	-0.0582
4	C3    12.4150   -10.8884     3.0835	C.3	1	noname	-0.0248
5	C4    12.2960   -11.8514     0.7584	C.3	1	noname	-0.0248
6	C5    10.1918    -9.1723     1.1215	C.1	1	noname	-0.0378
7	C6     9.1148    -8.4802     0.8915	C.2	1	noname	-0.0091
8	C7     7.8457    -9.0952     1.0086	C.2	1	noname	-0.0076
9	C8     9.2107    -7.1161     0.5256	C.2	1	noname	-0.0290
10	C9     6.6856    -8.3341     0.7586	C.2	1	noname	-0.0372
11	C10     8.0496    -6.3591     0.2766	C.2	1	noname	-0.0231
12	N1     5.3625    -8.6320     0.7887	N.3	1	noname	0.0122
13	C11     6.8066    -6.9960     0.4017	C.2	1	noname	0.0002
14	N2     4.6885    -7.5570     0.4727	N.2	1	noname	-0.2755
15	C12     4.7635    -9.8290     1.0897	C.2	1	noname	0.0538
16	C13     5.5185    -6.5290     0.2257	C.2	1	noname	0.0303
17	N3     5.5015   -10.9230     1.4128	N.2	1	noname	-0.2306
18	C14     3.3604    -9.9620     1.0728	C.2	1	noname	-0.0201
19	C15     4.9484   -12.1200     1.7158	C.2	1	noname	0.0833
20	C16     2.8014   -11.2090     1.3878	C.2	1	noname	0.0104
21	N4     3.6043   -12.2519     1.7009	N.2	1	noname	-0.2647
22	N5     5.7264   -13.1610     2.0269	N.3	1	noname	-0.0792
23	H1    14.2961   -10.2304     1.3535	H	1	noname	0.2121
24	H2    13.3259   -11.4614     3.2616	H	1	noname	0.0270
25	H3    12.4569    -9.9713     3.6746	H	1	noname	0.0270
26	H4    11.5569   -11.4834     3.4046	H	1	noname	0.0270
27	H5    13.2089   -12.4144     0.9555	H	1	noname	0.0270
28	H6    11.4369   -12.4694     1.0285	H	1	noname	0.0270
29	H7    12.2509   -11.6213    -0.3075	H	1	noname	0.0270
30	H8     7.7706   -10.0781     1.2716	H	1	noname	0.0656
31	H9    10.1227    -6.6641     0.4386	H	1	noname	0.0635
32	H10     8.1136    -5.3750     0.0126	H	1	noname	0.0630
33	H11     5.2454    -5.5829    -0.0401	H	1	noname	0.0863
34	H12     2.7563    -9.1739     0.8368	H	1	noname	0.0676
35	H13     1.7883   -11.3299     1.3819	H	1	noname	0.0841
36	H14     5.3233   -14.0150     2.2430	H	1	noname	0.1273
37	H15     6.6893   -13.0589     2.0349	H	1	noname	0.1273
@<TRIPOS>BOND
1	1	2	1
2	1	23	1
3	2	3	1
4	2	4	1
5	2	5	1
6	3	6	3
7	4	24	1
8	4	25	1
9	4	26	1
10	5	27	1
11	5	28	1
12	5	29	1
13	6	7	1
14	7	8	2
15	7	9	1
16	8	10	1
17	8	30	1
18	9	11	2
19	9	31	1
20	10	12	1
21	10	13	2
22	11	13	1
23	11	32	1
24	12	14	1
25	12	15	1
26	13	16	1
27	14	16	2
28	15	17	2
29	15	18	1
30	16	33	1
31	17	19	1
32	18	20	2
33	18	34	1
34	19	21	2
35	19	22	1
36	20	21	1
37	20	35	1
38	22	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1