@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3954
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.8837     0.0000     0.0000	O.3	1	noname	-0.2725
2	C1    -1.7727     0.6850     0.3780	C.2	1	noname	0.0312
3	C2    -2.9627    -0.4419    -1.3559	C.3	1	noname	0.0423
4	C3    -1.7747     2.1021     0.4001	C.2	1	noname	0.0060
5	C4    -0.6267    -0.0369     0.7671	C.2	1	noname	0.0269
6	C5    -0.6117     2.7972     0.8021	C.2	1	noname	-0.0071
7	C6    -2.9688     2.8752     0.0141	C.3	1	noname	0.0709
8	C7     0.5132     0.6771     1.1611	C.2	1	noname	0.0192
9	C8     0.5362     2.0692     1.1702	C.2	1	noname	-0.0510
10	O2    -2.6808     3.6752    -1.1258	O.3	1	noname	-0.3914
11	N1     1.6962     0.2141     1.5802	N.2	1	noname	-0.2401
12	N2     1.7592     2.4543     1.5963	N.3	1	noname	-0.0187
13	C9     2.4352     1.3072     1.8442	C.2	1	noname	-0.0346
14	C10     2.2582     3.7223     1.7553	C.2	1	noname	-0.0236
15	C11     3.0682     4.0414     2.8694	C.2	1	noname	-0.0547
16	C12     2.0011     4.7374     0.8053	C.2	1	noname	-0.0547
17	C13     3.5931     5.3345     3.0354	C.2	1	noname	-0.0619
18	C14     2.5231     6.0315     0.9684	C.2	1	noname	-0.0619
19	C15     3.3201     6.3306     2.0855	C.2	1	noname	-0.0850
20	H1    -3.9078    -0.9649    -1.5019	H	1	noname	0.0535
21	H2    -2.9228     0.4110    -2.0349	H	1	noname	0.0535
22	H3    -2.1427    -1.1259    -1.5819	H	1	noname	0.0535
23	H4    -0.6267    -1.0569     0.7651	H	1	noname	0.0673
24	H5    -0.6118     3.8163     0.8292	H	1	noname	0.0648
25	H6    -3.8069     2.2202    -0.2268	H	1	noname	0.0615
26	H7    -3.2648     3.5243     0.8402	H	1	noname	0.0615
27	H8    -3.4329     4.2233    -1.4348	H	1	noname	0.2105
28	H9     3.3992     1.2643     2.1783	H	1	noname	0.1019
29	H10     3.2731     3.3304     3.5724	H	1	noname	0.0642
30	H11     1.4410     4.5334    -0.0236	H	1	noname	0.0642
31	H12     4.1731     5.5496     3.8475	H	1	noname	0.0623
32	H13     2.3290     6.7515     0.2734	H	1	noname	0.0623
33	H14     3.7010     7.2697     2.2045	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	20	1
6	3	21	1
7	3	22	1
8	4	6	1
9	4	7	1
10	5	8	2
11	5	23	1
12	6	9	2
13	6	24	1
14	7	10	1
15	7	25	1
16	7	26	1
17	8	11	1
18	8	9	1
19	9	12	1
20	10	27	1
21	11	13	2
22	12	14	1
23	12	13	1
24	13	28	1
25	14	15	2
26	14	16	1
27	15	17	1
28	15	29	1
29	16	18	2
30	16	30	1
31	17	19	2
32	17	31	1
33	18	19	1
34	18	32	1
35	19	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1