@<TRIPOS>MOLECULE
DB03559
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9563    -1.9657     2.2562	O.2	1	noname	-0.3028
2	C1    -1.5964    -1.3824     1.2469	C.2	1	noname	0.0303
3	N1    -0.5016    -0.6631     1.2612	N.3	1	noname	-0.0838
4	C2    -0.0857     0.0110     0.0947	C.3	1	noname	0.0137
5	C3     1.3351    -0.5013    -0.3266	C.3	1	noname	-0.0373
6	C4    -0.2729     1.5570     0.2891	C.3	1	noname	-0.0373
7	C5     2.2341     0.5627    -1.0246	C.3	1	noname	-0.0518
8	C6     1.0450     2.3444     0.5668	C.3	1	noname	-0.0518
9	C7     2.2568     1.9751    -0.3501	C.3	1	noname	-0.0532
10	H1    -2.2284    -1.4994     0.3666	H	1	noname	0.1230
11	H2     0.0015    -0.6296     2.1363	H	1	noname	0.1310
12	H3    -0.7733    -0.2913    -0.6953	H	1	noname	0.0469
13	H4     1.8471    -0.7506     0.6028	H	1	noname	0.0282
14	H5     1.1609    -1.2726    -1.0768	H	1	noname	0.0282
15	H6    -0.6417     1.9329    -0.6653	H	1	noname	0.0282
16	H7    -0.8763     1.6712     1.1896	H	1	noname	0.0282
17	H8     3.2518     0.1818    -0.9393	H	1	noname	0.0267
18	H9     1.7901     0.7157    -2.0082	H	1	noname	0.0267
19	H10     0.8141     3.3852     0.3398	H	1	noname	0.0267
20	H11     1.3453     2.0603     1.5754	H	1	noname	0.0267
21	H12     3.1213     1.9601     0.3136	H	1	noname	0.0266
22	H13     2.2156     2.6857    -1.1756	H	1	noname	0.0266
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	3	4	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	7	9	1
9	8	9	1
10	2	10	1
11	3	11	1
12	4	12	1
13	5	13	1
14	5	14	1
15	6	15	1
16	6	16	1
17	7	17	1
18	7	18	1
19	8	19	1
20	8	20	1
21	9	21	1
22	9	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1