@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3919
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.0456     0.9664     1.4938	O.3	1	noname	-0.2730
2	C1    -2.7247     1.0854     1.1688	C.2	1	noname	0.0195
3	C2    -4.5997    -0.2395     2.0308	C.3	1	noname	0.0531
4	C3    -1.7717     0.0634     1.3869	C.2	1	noname	0.0238
5	C4    -2.3187     2.3014     0.5789	C.2	1	noname	-0.0110
6	C5    -6.1027    -0.0474     2.2758	C.3	1	noname	-0.0319
7	C6    -0.4408     0.2905     1.0099	C.2	1	noname	0.0183
8	C7    -0.9778     2.5155     0.2039	C.2	1	noname	-0.0190
9	C8    -6.3558     1.0395     3.3299	C.3	1	noname	-0.0632
10	N1     0.6121    -0.5294     1.1030	N.2	1	noname	-0.2397
11	C9    -0.0359     1.4945     0.4380	C.2	1	noname	-0.0539
12	C10     1.6480     0.1606     0.5930	C.2	1	noname	-0.0346
13	N2     1.2870     1.4006     0.1850	N.3	1	noname	-0.0190
14	C11     2.1299     2.3326    -0.3658	C.2	1	noname	-0.0236
15	C12     3.1269     1.9427    -1.2888	C.2	1	noname	-0.0547
16	C13     2.0449     3.6997    -0.0138	C.2	1	noname	-0.0547
17	C14     3.9999     2.8867    -1.8547	C.2	1	noname	-0.0619
18	C15     2.9159     4.6467    -0.5787	C.2	1	noname	-0.0619
19	C16     3.8928     4.2408    -1.5006	C.2	1	noname	-0.0850
20	H1    -4.4637    -1.0574     1.3208	H	1	noname	0.0571
21	H2    -4.1137    -0.4934     2.9738	H	1	noname	0.0571
22	H3    -2.0398    -0.8264     1.8049	H	1	noname	0.0673
23	H4    -3.0078     3.0375     0.4159	H	1	noname	0.0650
24	H5    -6.5868     0.2375     1.3409	H	1	noname	0.0287
25	H6    -6.5298    -0.9874     2.6249	H	1	noname	0.0287
26	H7    -0.7039     3.3935    -0.2359	H	1	noname	0.0644
27	H8    -7.4288     1.1456     3.4909	H	1	noname	0.0231
28	H9    -5.8778     0.7596     4.2699	H	1	noname	0.0231
29	H10    -5.9478     1.9896     2.9859	H	1	noname	0.0231
30	H11     2.5970    -0.2143     0.5361	H	1	noname	0.1019
31	H12     3.2159     0.9627    -1.5617	H	1	noname	0.0642
32	H13     1.3559     4.0107     0.6702	H	1	noname	0.0642
33	H14     4.7108     2.5888    -2.5226	H	1	noname	0.0623
34	H15     2.8408     5.6298    -0.3137	H	1	noname	0.0623
35	H16     4.5257     4.9278    -1.9116	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	20	1
7	3	21	1
8	4	7	1
9	4	22	1
10	5	8	2
11	5	23	1
12	6	9	1
13	6	24	1
14	6	25	1
15	7	10	1
16	7	11	2
17	8	11	1
18	8	26	1
19	9	27	1
20	9	28	1
21	9	29	1
22	10	12	2
23	11	13	1
24	12	13	1
25	12	30	1
26	13	14	1
27	14	15	2
28	14	16	1
29	15	17	1
30	15	31	1
31	16	18	2
32	16	32	1
33	17	19	2
34	17	33	1
35	18	19	1
36	18	34	1
37	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1