@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448042
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    13.5792    -5.3813    -1.4735	O.3	1	noname	-0.2768
2	C1    12.4781    -5.4843    -2.2754	C.2	1	noname	-0.0023
3	C2    13.5701    -5.7863    -0.1024	C.3	1	noname	0.0423
4	C3    11.2341    -5.9863    -1.8394	C.2	1	noname	-0.0289
5	C4    12.6151    -5.0642    -3.6104	C.2	1	noname	-0.0528
6	C5    10.1320    -6.0582    -2.7184	C.2	1	noname	-0.0221
7	C6    11.5320    -5.1482    -4.4994	C.2	1	noname	-0.0535
8	N1     8.9220    -6.5562    -2.3533	N.3	1	noname	0.0057
9	C7    10.2970    -5.6482    -4.0553	C.2	1	noname	-0.0690
10	C8     8.2649    -6.3171    -1.1892	C.2	1	noname	0.0472
11	N2     8.7639    -5.5001    -0.2192	N.2	1	noname	-0.2563
12	C9     7.0159    -6.9351    -0.9962	C.2	1	noname	0.0185
13	C10     8.1108    -5.2531     0.9438	C.2	1	noname	-0.0364
14	C11     6.3608    -6.6681     0.2108	C.2	1	noname	-0.0062
15	N3     6.9108    -5.8520     1.1348	N.3	1	noname	-0.0204
16	N4     5.1688    -7.1440     0.6198	N.2	1	noname	-0.2183
17	C12     6.0577    -5.7950     2.1679	C.2	1	noname	-0.0525
18	C13     4.9737    -6.6070     1.8349	C.2	1	noname	0.0118
19	C14     6.1057    -5.1109     3.3949	C.2	1	noname	-0.0319
20	C15     3.8927    -6.7649     2.7169	C.2	1	noname	-0.0101
21	C16     5.0256    -5.2639     4.2870	C.2	1	noname	-0.0470
22	C17     3.9266    -6.0849     3.9510	C.2	1	noname	-0.0438
23	H1    14.5571    -5.6052     0.3245	H	1	noname	0.0535
24	H2    12.8321    -5.2093     0.4585	H	1	noname	0.0535
25	H3    13.3411    -6.8503    -0.0234	H	1	noname	0.0535
26	H4    11.1291    -6.3062    -0.8763	H	1	noname	0.0666
27	H5    13.5110    -4.7002    -3.9384	H	1	noname	0.0650
28	H6    11.6420    -4.8482    -5.4683	H	1	noname	0.0624
29	H7     8.4619    -7.1051    -3.0083	H	1	noname	0.1357
30	H8     9.5149    -5.7091    -4.7083	H	1	noname	0.0639
31	H9     6.6049    -7.5510    -1.6981	H	1	noname	0.0693
32	H10     8.5178    -4.6350     1.6468	H	1	noname	0.1020
33	H11     6.9016    -4.5199     3.6360	H	1	noname	0.0643
34	H12     3.1016    -7.3599     2.4700	H	1	noname	0.0645
35	H13     5.0376    -4.7779     5.1840	H	1	noname	0.0623
36	H14     3.1506    -6.1858     4.6060	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	23	1
6	3	24	1
7	3	25	1
8	4	6	1
9	4	26	1
10	5	7	2
11	5	27	1
12	6	8	1
13	6	9	2
14	7	9	1
15	7	28	1
16	8	10	1
17	8	29	1
18	9	30	1
19	10	11	1
20	10	12	2
21	11	13	2
22	12	14	1
23	12	31	1
24	13	15	1
25	13	32	1
26	14	16	2
27	14	15	1
28	15	17	1
29	16	18	1
30	17	19	1
31	17	18	2
32	18	20	1
33	19	21	2
34	19	33	1
35	20	22	2
36	20	34	1
37	21	22	1
38	21	35	1
39	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1