@<TRIPOS>MOLECULE
DB03673
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.0199     1.7403     0.7826	S.3	1	noname	-0.2248
2	C1     2.5912     0.6770    -0.5123	C.2	1	noname	0.0155
3	C2     1.8263     3.3046    -0.0171	C.2	1	noname	0.0098
4	C3     2.6230     1.5833    -1.5777	C.2	1	noname	-0.0238
5	C4     2.9322    -0.7422    -0.4783	C.3	1	noname	0.0065
6	C5     2.2300     2.9180    -1.3074	C.2	1	noname	-0.0272
7	C6     4.0704    -0.9694     0.5186	C.3	1	noname	0.0961
8	N1     4.4119    -2.3906     0.5527	N.3	1	noname	-0.3191
9	C7     3.6466    -0.5387     1.8477	C.2	1	noname	0.1439
10	O1     4.4304    -0.6378     2.8163	O.2	1	noname	-0.2495
11	O2     2.4081    -0.0335     2.0305	O.3	1	noname	-0.2139
12	H1     1.5160     4.3180     0.2378	H	1	noname	0.0739
13	H2     2.9390     1.2648    -2.5710	H	1	noname	0.0634
14	H3     2.0500    -1.2533    -0.0928	H	1	noname	0.0346
15	H4     3.3113    -0.9833    -1.4714	H	1	noname	0.0346
16	H5     2.2384     3.6600    -2.1057	H	1	noname	0.0631
17	H6     4.9661    -0.4094     0.2498	H	1	noname	0.0575
18	H7     3.6794    -3.0858     0.5645	H	1	noname	0.1192
19	H8     5.3803    -2.6771     0.5645	H	1	noname	0.1192
20	H9     2.2280     0.0400     2.9706	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	4	6	1
7	5	7	1
8	7	8	1
9	7	9	1
10	9	10	2
11	9	11	1
12	3	12	1
13	4	13	1
14	5	14	1
15	5	15	1
16	6	16	1
17	7	17	1
18	8	18	1
19	8	19	1
20	11	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1