@<TRIPOS>MOLECULE
DB04048
17 16 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	-0.0413
3	N1     1.3220    -0.1243    -0.1321	N.3	1	noname	-0.0655
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	0.0983
6	C3    -0.5222     1.4133    -0.0856	C.2	1	noname	0.1439
7	C4    -0.2797    -0.2711    -1.8366	C.3	1	noname	-0.0397
8	O2    -1.4210     1.5904     0.7648	O.2	1	noname	-0.2495
9	O3     0.0348     2.4728    -0.7099	O.3	1	noname	-0.2139
10	H1     2.0221     0.4503    -0.5791	H	1	noname	0.1332
11	H2    -0.0581    -1.4603     1.6222	H	1	noname	0.1285
12	H3     1.1054    -2.7666     1.6222	H	1	noname	0.1285
13	H4    -0.5575    -0.7690     0.1718	H	1	noname	0.0575
14	H5    -0.3064    -1.3478    -2.0040	H	1	noname	0.0252
15	H6    -1.2296     0.1678    -2.1417	H	1	noname	0.0252
16	H7     0.5280     0.1678    -2.4224	H	1	noname	0.0252
17	H8     0.3615     3.0944    -0.0553	H	1	noname	0.2213
@<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	3	10	1
10	4	11	1
11	4	12	1
12	5	13	1
13	7	14	1
14	7	15	1
15	7	16	1
16	9	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1