@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4082
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     9.5727    -3.4177     0.7879	O.2	1	noname	-0.2723
2	C1     8.9756    -4.5166     0.7050	C.2	1	noname	0.1040
3	N1     7.6026    -4.5166     0.5720	N.3	1	noname	-0.1275
4	C2     9.7206    -5.7246     0.7650	C.2	1	noname	0.0339
5	C3     6.8976    -5.7145     0.5111	C.2	1	noname	-0.0096
6	C4     6.9286    -3.2376     0.5071	C.3	1	noname	0.0084
7	C5    11.1335    -5.7195     0.8961	C.2	1	noname	0.0677
8	C6     9.0195    -6.9615     0.6920	C.2	1	noname	0.0008
9	C7     7.5875    -6.9625     0.5651	C.2	1	noname	-0.0177
10	C8     5.4856    -5.7275     0.3951	C.2	1	noname	0.0063
11	C9     6.3286    -2.8555     1.8691	C.3	1	noname	-0.0515
12	O2    11.8514    -4.5745     0.9681	O.3	1	noname	-0.2672
13	C10    11.8514    -6.9245     0.9541	C.2	1	noname	0.0359
14	C11     9.7765    -8.1604     0.7521	C.2	1	noname	-0.0372
15	C12     6.8325    -8.1614     0.4942	C.2	1	noname	-0.0010
16	C13     4.7575    -6.9234     0.3281	C.2	1	noname	0.0328
17	O3    13.1994    -6.9065     1.0801	O.3	1	noname	-0.2750
18	C14    11.1724    -8.1444     0.8821	C.2	1	noname	-0.0009
19	C15     5.4365    -8.1484     0.3762	C.2	1	noname	0.0270
20	O4     3.4105    -6.8634     0.2212	O.3	1	noname	-0.2749
21	O5     4.7755    -9.3273     0.3133	O.3	1	noname	-0.2762
22	H1     7.6085    -2.4325     0.2211	H	1	noname	0.0437
23	H2     6.1496    -3.2435    -0.2548	H	1	noname	0.0437
24	H3     4.9595    -4.8564     0.3622	H	1	noname	0.0668
25	H4     5.8315    -1.8885     1.7851	H	1	noname	0.0244
26	H5     5.6045    -3.6015     2.1951	H	1	noname	0.0244
27	H6     7.1255    -2.7825     2.6101	H	1	noname	0.0244
28	H7    12.8184    -4.7165     1.0541	H	1	noname	0.2183
29	H8     9.3285    -9.0734     0.7041	H	1	noname	0.0630
30	H9     7.2845    -9.0733     0.5272	H	1	noname	0.0658
31	H10    13.6183    -7.7914     1.1112	H	1	noname	0.2183
32	H11    11.6893    -9.0224     0.9242	H	1	noname	0.0651
33	H12     2.9534    -7.7263     0.1873	H	1	noname	0.2183
34	H13     3.8045    -9.2603     0.2273	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	2
9	5	10	1
10	6	11	1
11	6	22	1
12	6	23	1
13	7	12	1
14	7	13	1
15	8	14	2
16	8	9	1
17	9	15	1
18	10	16	2
19	10	24	1
20	11	25	1
21	11	26	1
22	11	27	1
23	12	28	1
24	13	17	1
25	13	18	2
26	14	18	1
27	14	29	1
28	15	19	2
29	15	30	1
30	16	20	1
31	16	19	1
32	17	31	1
33	18	32	1
34	19	21	1
35	20	33	1
36	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1