@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3810
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.3447     5.4772     0.6075	O.3	1	noname	-0.2853
2	C1     2.3687     4.3092    -0.0723	C.2	1	noname	-0.0027
3	C2     1.4827     3.2713     0.2686	C.2	1	noname	-0.0272
4	C3     3.2866     4.1313    -1.1192	C.2	1	noname	-0.0564
5	C4     1.4977     2.0434    -0.4302	C.2	1	noname	-0.0146
6	C5     3.3216     2.9154    -1.8202	C.2	1	noname	-0.0528
7	N1     0.6447     1.0235    -0.0932	N.3	1	noname	-0.0175
8	C6     2.4366     1.8804    -1.4751	C.2	1	noname	-0.0663
9	C7    -0.6632     1.0845     0.2357	C.2	1	noname	-0.0474
10	C8     0.9786    -0.2863    -0.0221	C.2	1	noname	-0.0321
11	C9    -1.0853    -0.2142     0.5147	C.2	1	noname	0.0113
12	C10    -1.5763     2.1555     0.3018	C.2	1	noname	-0.0304
13	N2    -0.0593    -1.0562     0.3528	N.2	1	noname	-0.2288
14	C11    -2.4082    -0.4942     0.8917	C.2	1	noname	-0.0105
15	C12    -2.9082     1.8906     0.6778	C.2	1	noname	-0.0469
16	C13    -3.3213     0.5747     0.9738	C.2	1	noname	-0.0439
17	H1     1.6817     5.5172     1.3275	H	1	noname	0.2181
18	H2     0.8357     3.4094     1.0446	H	1	noname	0.0670
19	H3     3.9296     4.8833    -1.3692	H	1	noname	0.0650
20	H4     3.9895     2.7844    -2.5801	H	1	noname	0.0624
21	H5     2.4715     1.0045    -1.9981	H	1	noname	0.0642
22	H6     1.9115    -0.6573    -0.2121	H	1	noname	0.1019
23	H7    -1.2873     3.1065     0.0778	H	1	noname	0.0643
24	H8    -2.7013    -1.4491     1.0968	H	1	noname	0.0645
25	H9    -3.5802     2.6576     0.7339	H	1	noname	0.0623
26	H10    -4.2893     0.3957     1.2438	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	2	1
2	1	17	1
3	2	3	2
4	2	4	1
5	3	5	1
6	3	18	1
7	4	6	2
8	4	19	1
9	5	7	1
10	5	8	2
11	6	8	1
12	6	20	1
13	7	9	1
14	7	10	1
15	8	21	1
16	9	11	2
17	9	12	1
18	10	13	2
19	10	22	1
20	11	14	1
21	11	13	1
22	12	15	2
23	12	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