@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3945
33 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.8740     0.0879     0.3517	O.3	1	noname	-0.2701
2	C1    -2.6800     0.6450     0.6407	C.2	1	noname	0.0178
3	C2    -3.7080    -1.3380     0.2808	C.3	1	noname	0.0657
4	C3    -1.6990    -0.3229     0.8358	C.2	1	noname	0.0290
5	C4    -2.3870     2.0160     0.7668	C.2	1	noname	-0.0113
6	C5    -2.2460    -1.6580     0.6728	C.3	1	noname	0.0479
7	C6    -4.7141    -2.0260     1.2128	C.3	1	noname	-0.0378
8	C7    -0.3940     0.0740     1.1578	C.2	1	noname	0.0163
9	C8    -1.0710     2.4151     1.0889	C.2	1	noname	-0.0250
10	N1     0.6919    -0.6648     1.4069	N.2	1	noname	-0.2406
11	C9    -0.0761     1.4281     1.2709	C.2	1	noname	-0.0551
12	C10     1.6679     0.2241     1.6699	C.2	1	noname	-0.0422
13	N2     1.2348     1.5052     1.5880	N.3	1	noname	-0.0236
14	C11     2.0098     2.6192     1.7910	C.2	1	noname	-0.0236
15	C12     1.8888     3.7593     0.9630	C.2	1	noname	-0.0549
16	C13     2.9708     2.6463     2.8281	C.2	1	noname	-0.0549
17	C14     2.6908     4.8944     1.1731	C.2	1	noname	-0.0619
18	C15     3.7748     3.7793     3.0402	C.2	1	noname	-0.0619
19	C16     3.6338     4.9054     2.2132	C.2	1	noname	-0.0852
20	H1    -3.8881    -1.6660    -0.7441	H	1	noname	0.0609
21	H2    -3.1191     2.7141     0.6318	H	1	noname	0.0650
22	H3    -2.1851    -2.2139     1.6099	H	1	noname	0.0344
23	H4    -1.7341    -2.1930    -0.1280	H	1	noname	0.0344
24	H5    -5.7282    -1.7710     0.9039	H	1	noname	0.0257
25	H6    -4.5832    -3.1070     1.1609	H	1	noname	0.0257
26	H7    -4.5562    -1.6899     2.2389	H	1	noname	0.0257
27	H8    -0.8521     3.4052     1.1949	H	1	noname	0.0644
28	H9     2.6269    -0.0487     1.8930	H	1	noname	0.1019
29	H10     1.2247     3.7623     0.1900	H	1	noname	0.0642
30	H11     3.0838     1.8393     3.4422	H	1	noname	0.0642
31	H12     2.5907     5.7085     0.5671	H	1	noname	0.0623
32	H13     4.4608     3.7844     3.7962	H	1	noname	0.0623
33	H14     4.2177     5.7275     2.3652	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	7	1
7	3	20	1
8	4	8	1
9	4	6	1
10	5	9	2
11	5	21	1
12	6	22	1
13	6	23	1
14	7	24	1
15	7	25	1
16	7	26	1
17	8	10	1
18	8	11	2
19	9	11	1
20	9	27	1
21	10	12	2
22	11	13	1
23	12	13	1
24	12	28	1
25	13	14	1
26	14	15	2
27	14	16	1
28	15	17	1
29	15	29	1
30	16	18	2
31	16	30	1
32	17	19	2
33	17	31	1
34	18	19	1
35	18	32	1
36	19	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1