@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3277
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.7991     2.3614     1.0490	O.3	1	noname	-0.2701
2	C1    -2.7352     1.0155     1.2421	C.2	1	noname	0.0328
3	C2    -2.4792     3.2254     2.1420	C.3	1	noname	0.0423
4	C3    -1.7062     0.2325     0.6621	C.2	1	noname	-0.0133
5	C4    -3.7352     0.3985     2.0161	C.2	1	noname	-0.0179
6	C5    -0.6563     0.7486    -0.1297	C.2	1	noname	0.0578
7	C6    -1.6993    -1.1693     0.8832	C.2	1	noname	0.0713
8	C7    -3.7203    -0.9893     2.2272	C.2	1	noname	-0.0252
9	N1     0.2866    -0.0883    -0.6287	N.2	1	noname	-0.2507
10	N2    -0.5603     2.0696    -0.4057	N.3	1	noname	-0.0970
11	N3    -0.7263    -1.9453     0.3502	N.2	1	noname	-0.2598
12	C8    -2.7023    -1.7723     1.6612	C.2	1	noname	-0.0136
13	C9     0.2655    -1.4202    -0.4016	C.2	1	noname	0.0553
14	C10     0.4855     2.6397    -1.1796	C.3	1	noname	0.0265
15	C11     0.2975     4.0997    -1.2636	C.2	1	noname	-0.0486
16	C12     0.0655     4.7297    -2.5036	C.2	1	noname	-0.0531
17	C13     0.3445     4.8847    -0.0925	C.2	1	noname	-0.0531
18	C14    -0.1215     6.1218    -2.5705	C.2	1	noname	-0.0594
19	C15     0.1574     6.2758    -0.1585	C.2	1	noname	-0.0594
20	C16    -0.0765     6.8938    -1.3975	C.2	1	noname	-0.0613
21	H1    -2.5602     4.2595     1.8081	H	1	noname	0.0535
22	H2    -3.1712     3.0675     2.9721	H	1	noname	0.0535
23	H3    -1.4582     3.0425     2.4801	H	1	noname	0.0535
24	H4    -4.4803     0.9626     2.4262	H	1	noname	0.0650
25	H5    -4.4493    -1.4283     2.7902	H	1	noname	0.0624
26	H6    -1.2404     2.6636    -0.0536	H	1	noname	0.1300
27	H7    -2.6943    -2.7812     1.8163	H	1	noname	0.0645
28	H8     0.9895    -2.0222    -0.7926	H	1	noname	0.1062
29	H9     0.4775     2.1917    -2.1766	H	1	noname	0.0482
30	H10     1.4495     2.4297    -0.7116	H	1	noname	0.0482
31	H11     0.0274     4.1757    -3.3595	H	1	noname	0.0626
32	H12     0.5124     4.4408     0.8114	H	1	noname	0.0626
33	H13    -0.2915     6.5698    -3.4715	H	1	noname	0.0622
34	H14     0.1914     6.8358     0.6935	H	1	noname	0.0622
35	H15    -0.2136     7.9039    -1.4464	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	6	10	1
14	7	11	2
15	7	12	1
16	8	12	2
17	8	25	1
18	9	13	2
19	10	14	1
20	10	26	1
21	11	13	1
22	12	27	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