@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3823
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.0841     5.1288    -1.4759	O.3	1	noname	-0.2901
2	C1     3.2371     4.1329    -1.1328	C.2	1	noname	-0.0265
3	C2     3.2841     2.9099    -1.8198	C.2	1	noname	-0.0314
4	C3     2.3131     4.3139    -0.0908	C.2	1	noname	-0.0314
5	C4     2.4040     1.8720    -1.4677	C.2	1	noname	-0.0433
6	C5     1.4351     3.2730     0.2581	C.2	1	noname	-0.0433
7	C6     1.4591     2.0391    -0.4297	C.2	1	noname	-0.0345
8	N1     0.6071     1.0181    -0.0907	N.3	1	noname	-0.0175
9	C7    -0.7018     1.0802     0.2332	C.2	1	noname	-0.0474
10	C8     0.9400    -0.2917    -0.0167	C.2	1	noname	-0.0322
11	C9    -1.1259    -0.2177     0.5152	C.2	1	noname	0.0113
12	C10    -1.6158     2.1512     0.2942	C.2	1	noname	-0.0304
13	N2    -0.0989    -1.0597     0.3572	N.2	1	noname	-0.2288
14	C11    -2.4499    -0.4956     0.8883	C.2	1	noname	-0.0105
15	C12    -2.9488     1.8892     0.6673	C.2	1	noname	-0.0469
16	C13    -3.3629     0.5743     0.9653	C.2	1	noname	-0.0439
17	H1     3.9861     5.9488    -0.9478	H	1	noname	0.2181
18	H2     3.9560     2.7740    -2.5757	H	1	noname	0.0650
19	H3     2.2801     5.1979     0.4171	H	1	noname	0.0650
20	H4     2.4480     0.9911    -1.9817	H	1	noname	0.0643
21	H5     0.7841     3.4170     1.0301	H	1	noname	0.0643
22	H6     1.8729    -0.6637    -0.2046	H	1	noname	0.1019
23	H7    -1.3269     3.1022     0.0663	H	1	noname	0.0643
24	H8    -2.7449    -1.4496     1.0943	H	1	noname	0.0645
25	H9    -3.6198     2.6563     0.7183	H	1	noname	0.0623
26	H10    -4.3309     0.3963     1.2343	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	2
10	5	20	1
11	6	7	1
12	6	21	1
13	7	8	1
14	8	9	1
15	8	10	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