@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3839
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.6058    -1.8236     0.7812	O.3	1	noname	-0.2733
2	C1    -2.2938    -0.5095     0.8133	C.2	1	noname	0.0483
3	C2    -0.9548    -0.0864     0.7763	C.2	1	noname	0.0344
4	C3    -3.3039     0.4695     0.8803	C.2	1	noname	-0.0090
5	N1     0.1601    -0.8204     0.6953	N.2	1	noname	-0.2205
6	C4    -0.6129     1.2646     0.8123	C.2	1	noname	-0.0403
7	C5    -2.9689     1.8406     0.9013	C.2	1	noname	-0.0355
8	C6     1.1721     0.0656     0.6814	C.2	1	noname	-0.0448
9	N2     0.7340     1.3447     0.7604	N.3	1	noname	-0.0244
10	C7    -1.6209     2.2487     0.8624	C.2	1	noname	-0.0377
11	C8     1.5340     2.4588     0.7844	C.2	1	noname	-0.0236
12	C9     2.6760     2.5438    -0.0445	C.2	1	noname	-0.0550
13	C10     1.2600     3.5398     1.6545	C.2	1	noname	-0.0550
14	C11     3.5070     3.6769    -0.0194	C.2	1	noname	-0.0619
15	C12     2.0889     4.6739     1.6825	C.2	1	noname	-0.0619
16	C13     3.2119     4.7440     0.8446	C.2	1	noname	-0.0853
17	H1    -1.8238    -2.4145     0.7302	H	1	noname	0.2182
18	H2    -4.2830     0.1865     0.9083	H	1	noname	0.0650
19	H3    -3.7100     2.5417     0.9414	H	1	noname	0.0624
20	H4     2.1551    -0.2073     0.6314	H	1	noname	0.1019
21	H5    -1.3880     3.2408     0.8644	H	1	noname	0.0643
22	H6     2.9030     1.7798    -0.6824	H	1	noname	0.0642
23	H7     0.4599     3.4979     2.2856	H	1	noname	0.0642
24	H8     4.3240     3.7250    -0.6284	H	1	noname	0.0623
25	H9     1.8769     5.4450     2.3176	H	1	noname	0.0623
26	H10     3.8159     5.5671     0.8656	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	1	17	1
3	2	3	2
4	2	4	1
5	3	5	1
6	3	6	1
7	4	7	2
8	4	18	1
9	5	8	2
10	6	9	1
11	6	10	2
12	7	10	1
13	7	19	1
14	8	9	1
15	8	20	1
16	9	11	1
17	10	21	1
18	11	12	2
19	11	13	1
20	12	14	1
21	12	22	1
22	13	15	2
23	13	23	1
24	14	16	2
25	14	24	1
26	15	16	1
27	15	25	1
28	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1