@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=4290
25 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    11.0017    -3.5448     0.4215	O.2	1	noname	-0.2724
2	C1     9.7526    -3.5057     0.4555	C.2	1	noname	0.1146
3	N1     8.9885    -4.6077     0.4206	N.3	1	noname	-0.1322
4	C2     8.9475    -2.3477     0.5305	C.2	1	noname	0.0910
5	C3     7.7054    -4.2447     0.4666	C.2	1	noname	0.0029
6	C4     7.6294    -2.8516     0.5356	C.2	1	noname	-0.0138
7	C5     9.3915    -1.0116     0.5876	C.2	1	noname	0.1062
8	C6     6.5574    -5.0527     0.4556	C.2	1	noname	0.0082
9	C7     6.3703    -2.2256     0.6026	C.2	1	noname	0.0134
10	C8     8.5844     0.0024     0.6616	C.1	1	noname	0.1022
11	C9    10.6505    -0.6905     0.5697	C.1	1	noname	0.1022
12	C10     5.2983    -4.4246     0.5207	C.2	1	noname	0.0447
13	C11     5.2052    -3.0186     0.6087	C.2	1	noname	0.0305
14	N2     7.8703     0.8985     0.7267	N.1	1	noname	-0.1736
15	N3    11.7595    -0.3984     0.5537	N.1	1	noname	-0.1736
16	O2     4.1712    -5.1676     0.5197	O.3	1	noname	-0.2736
17	O3     3.9831    -2.4385     0.7187	O.3	1	noname	-0.2675
18	C12     3.6311    -1.8934     1.9918	C.3	1	noname	0.0424
19	H1     9.3175    -5.5177     0.3716	H	1	noname	0.1374
20	H2     6.6303    -6.0697     0.4087	H	1	noname	0.0668
21	H3     6.2823    -1.2125     0.6577	H	1	noname	0.0658
22	H4     3.3461    -4.6366     0.5657	H	1	noname	0.2183
23	H5     2.6340    -1.4574     1.9289	H	1	noname	0.0535
24	H6     3.6240    -2.6824     2.7469	H	1	noname	0.0535
25	H7     4.3381    -1.1154     2.2869	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	19	1
6	4	6	1
7	4	7	2
8	5	8	1
9	5	6	2
10	6	9	1
11	7	10	1
12	7	11	1
13	8	12	2
14	8	20	1
15	9	13	2
16	9	21	1
17	10	14	3
18	11	15	3
19	12	16	1
20	12	13	1
21	13	17	1
22	16	22	1
23	17	18	1
24	18	23	1
25	18	24	1
26	18	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1