@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50443640
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    22.6809    -2.6560    -0.0915	O.3	1	noname	-0.3765
2	C1    21.5018    -3.4530    -0.1434	C.3	1	noname	0.0702
3	C2    23.9229    -3.3480    -0.1814	C.3	1	noname	0.0699
4	C3    20.2728    -2.5449    -0.0394	C.3	1	noname	0.0702
5	C4    25.0708    -2.3379    -0.0994	C.3	1	noname	0.0666
6	O2    19.0917    -3.3399    -0.0833	O.3	1	noname	-0.3776
7	O3    26.3148    -3.0189    -0.1903	O.3	1	noname	-0.3938
8	C5    17.8517    -2.6438    -0.0033	C.3	1	noname	0.0591
9	C6    16.7016    -3.6548    -0.0553	C.3	1	noname	0.0160
10	N1    15.4175    -2.9577     0.0287	N.3	1	noname	-0.3282
11	H1    21.4978    -4.1619     0.6855	H	1	noname	0.0590
12	H2    21.4668    -3.9999    -1.0874	H	1	noname	0.0590
13	H3    24.0098    -4.0599     0.6405	H	1	noname	0.0590
14	H4    23.9798    -3.8819    -1.1304	H	1	noname	0.0590
15	H5    20.2748    -1.8399    -0.8724	H	1	noname	0.0590
16	H6    20.3117    -1.9939     0.9016	H	1	noname	0.0590
17	H7    24.9878    -1.6248    -0.9203	H	1	noname	0.0587
18	H8    25.0188    -1.8038     0.8496	H	1	noname	0.0587
19	H9    27.0998    -2.4338    -0.1443	H	1	noname	0.2101
20	H10    17.8026    -2.0868     0.9337	H	1	noname	0.0579
21	H11    17.7636    -1.9518    -0.8423	H	1	noname	0.0579
22	H12    16.7906    -4.3498     0.7807	H	1	noname	0.0449
23	H13    16.7496    -4.2108    -0.9912	H	1	noname	0.0449
24	H14    14.6915    -3.6767     0.0367	H	1	noname	0.1185
25	H15    15.3895    -2.4977     0.9418	H	1	noname	0.1185
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	11	1
5	2	12	1
6	3	5	1
7	3	13	1
8	3	14	1
9	4	6	1
10	4	15	1
11	4	16	1
12	5	7	1
13	5	17	1
14	5	18	1
15	6	8	1
16	7	19	1
17	8	9	1
18	8	20	1
19	8	21	1
20	9	10	1
21	9	22	1
22	9	23	1
23	10	24	1
24	10	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1