@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445937
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     8.6047    -5.5257     1.4889	I	1	noname	-0.0365
2	C1     9.1827    -6.4156    -0.2810	C.2	1	noname	0.1206
3	C2    10.5807    -6.5916    -0.4490	C.2	1	noname	0.1509
4	C3     8.2976    -6.7906    -1.3220	C.2	1	noname	0.0325
5	O1    11.3766    -6.2615     0.4630	O.2	1	noname	-0.2570
6	N1    11.0386    -7.1226    -1.6310	N.3	1	noname	-0.0817
7	N2     6.9165    -6.6866    -1.2339	N.3	1	noname	0.0496
8	C4     8.9156    -7.3316    -2.4850	C.2	1	noname	0.0601
9	N3    10.2215    -7.4585    -2.5580	N.2	1	noname	-0.1876
10	C5    12.3606    -7.3185    -1.8729	C.2	1	noname	-0.0078
11	N4     6.2984    -6.5345    -0.1028	N.2	1	noname	-0.2139
12	C6     5.9484    -6.7275    -2.1889	C.2	1	noname	0.0229
13	C7    12.9066    -8.6165    -1.8099	C.2	1	noname	-0.0186
14	C8    13.1976    -6.2304    -2.1959	C.2	1	noname	-0.0186
15	N5     5.0153    -6.4874    -0.2227	N.2	1	noname	-0.1374
16	C9     4.7283    -6.6115    -1.5208	C.2	1	noname	0.0847
17	C10     6.1193    -6.7835    -3.6529	C.3	1	noname	0.0375
18	C11    14.2736    -8.8234    -2.0629	C.2	1	noname	-0.0491
19	C12    14.5646    -6.4383    -2.4499	C.2	1	noname	-0.0491
20	C13     3.4082    -6.6184    -2.0128	C.2	1	noname	0.1454
21	C14    15.1026    -7.7343    -2.3828	C.2	1	noname	-0.0512
22	O2     3.1561    -6.7754    -3.2278	O.2	1	noname	-0.2825
23	C15     2.2741    -6.4644    -1.0937	C.3	1	noname	0.0008
24	H1     8.3705    -7.6685    -3.2710	H	1	noname	0.0874
25	H2    12.3085    -9.4105    -1.5778	H	1	noname	0.0640
26	H3    12.8115    -5.2873    -2.2459	H	1	noname	0.0640
27	H4     5.2162    -6.4794    -4.1779	H	1	noname	0.0294
28	H5     6.9143    -6.0994    -3.9529	H	1	noname	0.0294
29	H6     6.3673    -7.8005    -3.9558	H	1	noname	0.0294
30	H7    14.6646    -9.7654    -2.0138	H	1	noname	0.0623
31	H8    15.1656    -5.6473    -2.6818	H	1	noname	0.0623
32	H9    16.0946    -7.8853    -2.5678	H	1	noname	0.0622
33	H10     1.3360    -6.4983    -1.6486	H	1	noname	0.0314
34	H11     2.2820    -7.2714    -0.3606	H	1	noname	0.0314
35	H12     2.3460    -5.5063    -0.5766	H	1	noname	0.0314
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	6	9	1
9	6	10	1
10	7	11	1
11	7	12	1
12	8	9	2
13	8	24	1
14	10	13	2
15	10	14	1
16	11	15	2
17	12	16	2
18	12	17	1
19	13	18	1
20	13	25	1
21	14	19	2
22	14	26	1
23	15	16	1
24	16	20	1
25	17	27	1
26	17	28	1
27	17	29	1
28	18	21	2
29	18	30	1
30	19	21	1
31	19	31	1
32	20	22	2
33	20	23	1
34	21	32	1
35	23	33	1
36	23	34	1
37	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1