@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50442331
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.4558    -8.7900    -0.4382	O.3	1	noname	-0.3915
2	C1     3.8657    -8.9690    -0.3921	C.3	1	noname	0.0690
3	C2     4.5467    -7.8369    -1.0571	C.2	1	noname	-0.0098
4	C3     4.4726    -6.5189    -0.5480	C.2	1	noname	0.0147
5	C4     5.2916    -8.0919    -2.2260	C.2	1	noname	-0.0041
6	C5     5.1636    -5.4969    -1.2540	C.2	1	noname	0.0224
7	C6     3.7506    -6.1818     0.6269	C.2	1	noname	-0.0256
8	C7     5.9656    -7.0499    -2.9030	C.2	1	noname	0.0179
9	N1     5.8625    -5.8018    -2.3729	N.2	1	noname	-0.2307
10	C8     5.1075    -4.1798    -0.7690	C.2	1	noname	-0.0039
11	C9     3.7055    -4.8548     1.1009	C.2	1	noname	-0.0391
12	C10     6.7395    -7.2338    -4.0899	C.2	1	noname	-0.0301
13	C11     4.3935    -3.8658     0.3840	C.2	1	noname	-0.0816
14	C12     5.6665    -2.9958    -1.2329	C.2	1	noname	-0.0271
15	C13     7.5085    -6.1608    -4.6059	C.2	1	noname	-0.0348
16	C14     6.7795    -8.4618    -4.7989	C.2	1	noname	-0.0348
17	N2     4.5084    -2.5497     0.6190	N.3	1	noname	-0.0760
18	C15     5.2715    -1.9998    -0.3439	C.2	1	noname	-0.1091
19	C16     8.2844    -6.3047    -5.7678	C.2	1	noname	-0.0534
20	C17     7.5554    -8.6097    -5.9608	C.2	1	noname	-0.0534
21	C18     8.3104    -7.5317    -6.4458	C.2	1	noname	-0.0525
22	H1     1.9417    -9.5080    -0.0121	H	1	noname	0.2105
23	H2     4.1016    -9.9159    -0.8801	H	1	noname	0.0615
24	H3     4.1887    -9.0319     0.6478	H	1	noname	0.0615
25	H4     5.3386    -9.0489    -2.5740	H	1	noname	0.0649
26	H5     3.2485    -6.9008     1.1480	H	1	noname	0.0630
27	H6     3.1835    -4.6198     1.9450	H	1	noname	0.0642
28	H7     6.2505    -2.8787    -2.0619	H	1	noname	0.0643
29	H8     7.5124    -5.2547    -4.1338	H	1	noname	0.0629
30	H9     6.2404    -9.2667    -4.4828	H	1	noname	0.0629
31	H10     4.1064    -2.0717     1.3611	H	1	noname	0.1522
32	H11     5.5214    -1.0127    -0.4109	H	1	noname	0.0789
33	H12     8.8314    -5.5167    -6.1168	H	1	noname	0.0622
34	H13     7.5694    -9.5037    -6.4538	H	1	noname	0.0622
35	H14     8.8743    -7.6386    -7.2887	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	22	1
3	2	3	1
4	2	23	1
5	2	24	1
6	3	4	1
7	3	5	2
8	4	6	1
9	4	7	2
10	5	8	1
11	5	25	1
12	6	9	1
13	6	10	2
14	7	11	1
15	7	26	1
16	8	12	1
17	8	9	2
18	10	13	1
19	10	14	1
20	11	13	2
21	11	27	1
22	12	15	2
23	12	16	1
24	13	17	1
25	14	18	2
26	14	28	1
27	15	19	1
28	15	29	1
29	16	20	2
30	16	30	1
31	17	18	1
32	17	31	1
33	18	32	1
34	19	21	2
35	19	33	1
36	20	21	1
37	20	34	1
38	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1