@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3287
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -5.2468     0.7858    -0.5238	O.3	1	noname	-0.2657
2	C1    -4.0578     0.1658    -0.2577	C.2	1	noname	0.0435
3	C2    -5.4809     2.1648    -0.2267	C.3	1	noname	0.0424
4	C3    -3.9509    -1.1961    -0.5957	C.2	1	noname	0.0585
5	C4    -2.9519     0.8188     0.3282	C.2	1	noname	0.0250
6	O2    -5.0009    -1.8361    -1.1566	O.3	1	noname	-0.2717
7	C5    -2.7619    -1.9031    -0.3546	C.2	1	noname	0.0361
8	C6    -1.7519     0.1188     0.5763	C.2	1	noname	-0.0215
9	C7    -1.6619    -1.2520     0.2283	C.2	1	noname	0.0454
10	C8    -0.6100     0.7059     1.1603	C.2	1	noname	0.0346
11	N1    -0.5189    -1.9410     0.4574	N.2	1	noname	-0.2601
12	N2     0.5019    -0.0460     1.3594	N.2	1	noname	-0.2516
13	N3    -0.6040     2.0089     1.5274	N.3	1	noname	-0.1020
14	C9     0.5619    -1.3529     1.0174	C.2	1	noname	0.0392
15	C10     0.5189     2.6440     2.1224	C.3	1	noname	0.0265
16	C11     0.2178     4.0640     2.3835	C.2	1	noname	-0.0486
17	C12    -0.0391     4.9401     1.3085	C.2	1	noname	-0.0531
18	C13     0.1848     4.5651     3.7005	C.2	1	noname	-0.0531
19	C14    -0.3272     6.2952     1.5476	C.2	1	noname	-0.0594
20	C15    -0.1022     5.9202     3.9406	C.2	1	noname	-0.0594
21	C16    -0.3592     6.7852     2.8636	C.2	1	noname	-0.0613
22	H1    -6.4959     2.4228    -0.5287	H	1	noname	0.0535
23	H2    -5.3759     2.3438     0.8442	H	1	noname	0.0535
24	H3    -4.7799     2.7948    -0.7757	H	1	noname	0.0535
25	H4    -3.0249     1.8059     0.5743	H	1	noname	0.0659
26	H5    -5.7890    -1.2660    -1.2866	H	1	noname	0.2183
27	H6    -2.6979    -2.8900    -0.6046	H	1	noname	0.0674
28	H7    -1.4051     2.5350     1.3794	H	1	noname	0.1300
29	H8     1.4139    -1.8889     1.1804	H	1	noname	0.1062
30	H9     1.3788     2.5800     1.4515	H	1	noname	0.0482
31	H10     0.7668     2.1280     3.0525	H	1	noname	0.0482
32	H11    -0.0172     4.5902     0.3496	H	1	noname	0.0626
33	H12     0.3687     3.9441     4.4896	H	1	noname	0.0626
34	H13    -0.5122     6.9232     0.7646	H	1	noname	0.0622
35	H14    -0.1262     6.2752     4.8966	H	1	noname	0.0622
36	H15    -0.5673     7.7692     3.0377	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	10	13	1
20	11	14	1
21	12	14	2
22	13	15	1
23	13	28	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