@<TRIPOS>MOLECULE
DB03858
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.8052     0.1969    -0.0061	S.3	1	noname	-0.1518
2	C1     2.5446    -1.4319     0.1950	C.3	1	noname	0.0520
3	C2     0.0134     0.0590     0.0949	C.3	1	noname	0.0186
4	C3     3.9980    -1.3202     0.1130	C.2	1	noname	0.1374
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	-0.2970
7	C5     4.7208    -0.4845     1.0674	C.3	1	noname	-0.0048
8	N1    -2.0705     1.3316     0.0061	N.3	1	noname	-0.3187
9	C6    -0.2416     1.9902    -1.3772	C.2	1	noname	0.1441
10	O2     0.3939     3.0645    -1.4447	O.2	1	noname	-0.2494
11	O3    -0.5826     1.3355    -2.5075	O.3	1	noname	-0.2138
12	H1     2.3823    -1.7962     1.2094	H	1	noname	0.0461
13	H2     2.2977    -2.0650    -0.6574	H	1	noname	0.0461
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     4.4613    -0.7846     2.0826	H	1	noname	0.0310
18	H7     5.7935    -0.6047     0.9160	H	1	noname	0.0310
19	H8     4.4473     0.5597     0.9160	H	1	noname	0.0310
20	H9    -2.6403     2.1650     0.0344	H	1	noname	0.1192
21	H10    -2.5061     0.4208     0.0344	H	1	noname	0.1192
22	H11    -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	7	18	1
18	7	19	1
19	8	20	1
20	8	21	1
21	11	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1