@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3953
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.7791     4.3447    -0.0867	O.2	1	noname	-0.2554
2	C1    -2.9131     3.1077     0.0722	C.2	1	noname	0.1001
3	O2    -4.1062     2.5377    -0.2647	O.3	1	noname	-0.2079
4	C2    -1.8421     2.3307     0.5883	C.2	1	noname	0.0391
5	C3    -5.1653     3.3428    -0.7876	C.3	1	noname	0.0457
6	C4    -1.9582     0.9237     0.7823	C.2	1	noname	0.0612
7	C5    -0.6231     2.9748     0.9214	C.2	1	noname	0.0251
8	O3    -3.1353     0.3007     0.4604	O.3	1	noname	-0.2666
9	C6    -0.8682     0.1897     1.3074	C.2	1	noname	0.0364
10	C7     0.4558     2.2278     1.4254	C.2	1	noname	-0.0364
11	C8    -3.3433    -1.1103     0.5714	C.3	1	noname	0.0423
12	C9     0.3188     0.8598     1.6235	C.2	1	noname	0.0295
13	N1     1.6998     2.5738     1.8215	N.3	1	noname	0.0072
14	N2     1.4508     0.3708     2.1405	N.2	1	noname	-0.2385
15	C10     2.3028     3.8069     1.7975	C.2	1	noname	-0.0232
16	C11     2.2748     1.4288     2.2575	C.2	1	noname	-0.0285
17	C12     2.1427     4.6810     0.6985	C.2	1	noname	-0.0527
18	C13     3.1278     4.2250     2.8676	C.2	1	noname	-0.0527
19	C14     2.7737     5.9371     0.6746	C.2	1	noname	-0.0615
20	C15     3.7608     5.4791     2.8467	C.2	1	noname	-0.0615
21	C16     3.5827     6.3372     1.7496	C.2	1	noname	-0.0831
22	H1    -6.0254     2.7068    -0.9926	H	1	noname	0.0536
23	H2    -5.4514     4.1059    -0.0626	H	1	noname	0.0536
24	H3    -4.8494     3.8229    -1.7157	H	1	noname	0.0536
25	H4    -0.5232     3.9839     0.8044	H	1	noname	0.0652
26	H5    -0.9362    -0.8152     1.4615	H	1	noname	0.0673
27	H6    -4.3574    -1.3432     0.2465	H	1	noname	0.0535
28	H7    -2.6373    -1.6473    -0.0645	H	1	noname	0.0535
29	H8    -3.2234    -1.4312     1.6075	H	1	noname	0.0535
30	H9     3.2268     1.3599     2.6216	H	1	noname	0.1019
31	H10     1.5767     4.4000    -0.1014	H	1	noname	0.0642
32	H11     3.2648     3.6160     3.6747	H	1	noname	0.0642
33	H12     2.6486     6.5552    -0.1273	H	1	noname	0.0623
34	H13     4.3508     5.7662     3.6287	H	1	noname	0.0623
35	H14     4.0427     7.2483     1.7327	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	22	1
8	5	23	1
9	5	24	1
10	6	8	1
11	6	9	1
12	7	10	2
13	7	25	1
14	8	11	1
15	9	12	2
16	9	26	1
17	10	13	1
18	10	12	1
19	11	27	1
20	11	28	1
21	11	29	1
22	12	14	1
23	13	15	1
24	13	16	1
25	14	16	2
26	15	17	2
27	15	18	1
28	16	30	1
29	17	19	1
30	17	31	1
31	18	20	2
32	18	32	1
33	19	21	2
34	19	33	1
35	20	21	1
36	20	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1