@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3286
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.8870    -2.9746    -0.7868	O.3	1	noname	-0.2661
2	C1    -2.8431    -1.6515    -0.4647	C.2	1	noname	0.0458
3	C2    -1.9761    -3.4855    -1.7627	C.3	1	noname	0.0424
4	C3    -1.7441    -1.0725     0.2063	C.2	1	noname	0.0539
5	C4    -3.9541    -0.8564    -0.7976	C.2	1	noname	-0.0028
6	N1    -0.6801    -1.8344     0.5593	N.2	1	noname	-0.2357
7	C5    -1.7531     0.3105     0.5213	C.2	1	noname	0.0059
8	C6    -3.9672     0.5125    -0.4866	C.2	1	noname	-0.0406
9	C7     0.3897    -1.3164     1.2014	C.2	1	noname	0.0390
10	C8    -0.6221     0.8275     1.1874	C.2	1	noname	0.0350
11	C9    -2.8712     1.0965     0.1683	C.2	1	noname	-0.0267
12	N2     0.4057     0.0005     1.5034	N.2	1	noname	-0.2345
13	N3    -0.5432     2.1376     1.5194	N.3	1	noname	-0.1024
14	C10     0.5757     2.7067     2.1854	C.3	1	noname	0.0265
15	C11     0.3626     4.1518     2.3835	C.2	1	noname	-0.0486
16	C12     0.2586     5.0088     1.2675	C.2	1	noname	-0.0531
17	C13     0.2606     4.6968     3.6795	C.2	1	noname	-0.0531
18	C14     0.0516     6.3878     1.4455	C.2	1	noname	-0.0594
19	C15     0.0535     6.0758     3.8586	C.2	1	noname	-0.0594
20	C16    -0.0514     6.9209     2.7416	C.2	1	noname	-0.0613
21	H1    -2.1931    -4.5405    -1.9257	H	1	noname	0.0535
22	H2    -2.0961    -2.9505    -2.7067	H	1	noname	0.0535
23	H3    -0.9451    -3.3895    -1.4207	H	1	noname	0.0535
24	H4    -4.7542    -1.2754    -1.2726	H	1	noname	0.0650
25	H5    -4.7752     1.0836    -0.7376	H	1	noname	0.0623
26	H6     1.1777    -1.9134     1.4544	H	1	noname	0.1062
27	H7    -2.8982     2.0936     0.3874	H	1	noname	0.0630
28	H8    -1.2853     2.7177     1.2904	H	1	noname	0.1300
29	H9     1.4777     2.5567     1.5875	H	1	noname	0.0482
30	H10     0.7106     2.2037     3.1465	H	1	noname	0.0482
31	H11     0.3336     4.6288     0.3235	H	1	noname	0.0626
32	H12     0.3345     4.0898     4.4966	H	1	noname	0.0626
33	H13    -0.0234     7.0019     0.6336	H	1	noname	0.0622
34	H14    -0.0214     6.4619     4.7996	H	1	noname	0.0622
35	H15    -0.2024     7.9219     2.8706	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	21	1
6	3	22	1
7	3	23	1
8	4	6	2
9	4	7	1
10	5	8	1
11	5	24	1
12	6	9	1
13	7	10	2
14	7	11	1
15	8	11	2
16	8	25	1
17	9	12	2
18	9	26	1
19	10	13	1
20	10	12	1
21	11	27	1
22	13	14	1
23	13	28	1
24	14	15	1
25	14	29	1
26	14	30	1
27	15	16	2
28	15	17	1
29	16	18	1
30	16	31	1
31	17	19	2
32	17	32	1
33	18	20	2
34	18	33	1
35	19	20	1
36	19	34	1
37	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1