@<TRIPOS>MOLECULE
DB03522
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.2865    -1.3072     0.6000	O.2	1	noname	-0.2495
2	C1     3.1222    -1.5749     0.2323	C.2	1	noname	0.1440
3	O2     2.6143    -2.8077     0.4436	O.3	1	noname	-0.2139
4	C2     2.3116    -0.5543    -0.4256	C.3	1	noname	0.1006
5	N1     1.9371    -1.0156    -1.7614	N.3	1	noname	-0.3190
6	C3     1.0481    -0.2973     0.3980	C.3	1	noname	0.0584
7	C4     0.2374     0.7233    -0.2599	C.2	1	noname	0.1438
8	O3    -0.0280     1.7901     0.3350	O.2	1	noname	-0.2528
9	O4    -0.2254     0.5149    -1.5108	O.3	1	noname	-0.1990
10	C5    -1.0139     1.5075    -2.1507	C.3	1	noname	0.1420
11	C6    -1.3878     1.0467    -3.4847	C.2	1	noname	0.1487
12	O5    -1.0411     1.7009    -4.4919	O.2	1	noname	-0.2461
13	O6    -2.1080    -0.0858    -3.6304	O.3	1	noname	-0.2112
14	H1     2.5479    -2.9690     1.3876	H	1	noname	0.2213
15	H2     2.9187     0.3447    -0.5326	H	1	noname	0.0577
16	H3     0.9656    -1.1750    -1.9867	H	1	noname	0.1192
17	H4     2.6500    -1.1750    -2.4589	H	1	noname	0.1192
18	H5     0.4526    -1.2101     0.3808	H	1	noname	0.0394
19	H6     1.3577     0.1336     1.3501	H	1	noname	0.0394
20	H7    -1.9315     1.5914    -1.5686	H	1	noname	0.0683
21	H8    -0.3678     2.3761    -2.2780	H	1	noname	0.0683
22	H9    -2.3311    -0.4366    -2.7651	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	9	10	1
10	10	11	1
11	11	12	2
12	11	13	1
13	3	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	10	20	1
20	10	21	1
21	13	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1