@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3288
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.8964    -1.1351    -1.9216	O.3	1	noname	-0.2632
2	C1    -3.8334    -0.6711    -1.1975	C.2	1	noname	0.0585
3	C2    -4.9915    -2.4911    -2.3645	C.3	1	noname	0.0424
4	C3    -3.8475     0.6879    -0.8275	C.2	1	noname	0.0435
5	C4    -2.7405    -1.4761    -0.8125	C.2	1	noname	0.0370
6	O2    -4.8865     1.4739    -1.1874	O.3	1	noname	-0.2741
7	C5    -2.7915     1.2409    -0.0844	C.2	1	noname	0.0241
8	C6    -1.6795    -0.9310    -0.0694	C.2	1	noname	0.0448
9	C7    -1.6985     0.4359     0.3016	C.2	1	noname	-0.0208
10	N1    -0.6395    -1.7210     0.2875	N.2	1	noname	-0.2596
11	C8    -0.5995     0.9110     1.0476	C.2	1	noname	0.0341
12	C9     0.4024    -1.2389     1.0006	C.2	1	noname	0.0388
13	N2     0.4073     0.0620     1.3697	N.2	1	noname	-0.2511
14	N3    -0.5316     2.2021     1.4497	N.3	1	noname	-0.1021
15	C10     0.5543     2.7231     2.2047	C.3	1	noname	0.0265
16	C11     0.3422     4.1572     2.4748	C.2	1	noname	-0.0486
17	C12     0.3052     5.0782     1.4078	C.2	1	noname	-0.0531
18	C13     0.1772     4.6273     3.7939	C.2	1	noname	-0.0531
19	C14     0.1042     6.4473     1.6549	C.2	1	noname	-0.0594
20	C15    -0.0237     5.9963     4.0419	C.2	1	noname	-0.0594
21	C16    -0.0608     6.9064     2.9720	C.2	1	noname	-0.0613
22	H1    -5.9206    -2.6151    -2.9205	H	1	noname	0.0535
23	H2    -4.1535    -2.7361    -3.0205	H	1	noname	0.0535
24	H3    -4.9985    -3.1691    -1.5105	H	1	noname	0.0535
25	H4    -2.7155    -2.4620    -1.0714	H	1	noname	0.0674
26	H5    -5.5796     1.0049    -1.6994	H	1	noname	0.2183
27	H6    -2.8265     2.2280     0.1716	H	1	noname	0.0659
28	H7     1.1774    -1.8509     1.2596	H	1	noname	0.1062
29	H8    -1.2576     2.8001     1.2147	H	1	noname	0.1300
30	H9     1.4843     2.5992     1.6468	H	1	noname	0.0482
31	H10     0.6352     2.1652     3.1408	H	1	noname	0.0482
32	H11     0.4242     4.7513     0.4479	H	1	noname	0.0626
33	H12     0.2022     3.9733     4.5769	H	1	noname	0.0626
34	H13     0.0791     7.1074     0.8769	H	1	noname	0.0622
35	H14    -0.1418     6.3294     5.0000	H	1	noname	0.0622
36	H15    -0.2068     7.9004     3.1520	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	22	1
6	3	23	1
7	3	24	1
8	4	6	1
9	4	7	2
10	5	8	1
11	5	25	1
12	6	26	1
13	7	9	1
14	7	27	1
15	8	10	2
16	8	9	1
17	9	11	2
18	10	12	1
19	11	13	1
20	11	14	1
21	12	13	2
22	12	28	1
23	14	15	1
24	14	29	1
25	15	16	1
26	15	30	1
27	15	31	1
28	16	17	2
29	16	18	1
30	17	19	1
31	17	32	1
32	18	20	2
33	18	33	1
34	19	21	2
35	19	34	1
36	20	21	1
37	20	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1