@<TRIPOS>MOLECULE
DB01847
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.9624    -1.1334     1.0184	O.2	1	noname	-0.2942
2	C1     1.7432    -1.0272     0.7639	C.2	1	noname	-0.0411
3	N1     1.3220    -0.1243    -0.1321	N.3	1	noname	-0.0651
4	N2     0.8575    -1.8161     1.3873	N.3	1	noname	-0.0826
5	C2    -0.0533    -0.0044    -0.4191	C.3	1	noname	0.1034
6	C3    -0.5222     1.4133    -0.0856	C.2	1	noname	0.1441
7	C4    -0.2797    -0.2711    -1.8366	C.3	1	noname	-0.0216
8	O2    -1.4210     1.5904     0.7648	O.2	1	noname	-0.2493
9	O3     0.0348     2.4728    -0.7099	O.3	1	noname	-0.2138
10	C5     0.1893    -1.6887    -2.1701	C.3	1	noname	-0.0607
11	C6    -1.7720    -0.1410    -2.1480	C.3	1	noname	-0.0607
12	H1     2.0221     0.4503    -0.5791	H	1	noname	0.1332
13	H2    -0.0581    -1.4603     1.6222	H	1	noname	0.1285
14	H3     1.1054    -2.7666     1.6222	H	1	noname	0.1285
15	H4    -0.5575    -0.7690     0.1718	H	1	noname	0.0581
16	H5     0.2964     0.4668    -2.3950	H	1	noname	0.0318
17	H6     0.3615     3.0944    -0.0553	H	1	noname	0.2213
18	H7     0.3710    -2.2381    -1.2463	H	1	noname	0.0234
19	H8    -0.5795    -2.1986    -2.7508	H	1	noname	0.0234
20	H9     1.1104    -1.6396    -2.7508	H	1	noname	0.0234
21	H10    -2.3347    -0.0920    -1.2158	H	1	noname	0.0234
22	H11    -1.9449     0.7674    -2.7251	H	1	noname	0.0234
23	H12    -2.0994    -1.0058    -2.7251	H	1	noname	0.0234
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	5	3	1
5	5	6	1
6	5	7	1
7	6	8	2
8	6	9	1
9	7	10	1
10	7	11	1
11	3	12	1
12	4	13	1
13	4	14	1
14	5	15	1
15	7	16	1
16	9	17	1
17	10	18	1
18	10	19	1
19	10	20	1
20	11	21	1
21	11	22	1
22	11	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1