@<TRIPOS>MOLECULE
DB04339
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.8052     0.1969    -0.0061	S.3	1	noname	-0.1491
2	C1     2.5446    -1.4319     0.1950	C.3	1	noname	0.0795
3	C2     0.0134     0.0590     0.0949	C.3	1	noname	0.0187
4	C3     3.9980    -1.3202     0.1130	C.2	1	noname	0.1400
5	C4    -0.6151     1.4435    -0.0759	C.3	1	noname	0.1004
6	O1     4.6235    -1.9399    -0.7742	O.2	1	noname	-0.2523
7	O2     4.6664    -0.5474     0.9954	O.3	1	noname	-0.2161
8	N1    -2.0705     1.3316     0.0061	N.3	1	noname	-0.3187
9	C5    -0.2416     1.9902    -1.3772	C.2	1	noname	0.1441
10	O3     0.3939     3.0645    -1.4447	O.2	1	noname	-0.2494
11	O4    -0.5826     1.3355    -2.5075	O.3	1	noname	-0.2138
12	H1     2.3823    -1.7962     1.2094	H	1	noname	0.0487
13	H2     2.2977    -2.0650    -0.6574	H	1	noname	0.0487
14	H3    -0.3566    -0.5041    -0.7619	H	1	noname	0.0402
15	H4    -0.2720    -0.2353     1.1049	H	1	noname	0.0402
16	H5    -0.2823     2.1404     0.6933	H	1	noname	0.0580
17	H6     4.4377    -0.8117     1.8896	H	1	noname	0.2213
18	H7    -2.6403     2.1650     0.0344	H	1	noname	0.1192
19	H8    -2.5061     0.4208     0.0344	H	1	noname	0.1192
20	H9    -0.5366     0.3888    -2.3552	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	5	9	1
9	9	10	2
10	9	11	1
11	2	12	1
12	2	13	1
13	3	14	1
14	3	15	1
15	5	16	1
16	7	17	1
17	8	18	1
18	8	19	1
19	11	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1