@<TRIPOS>MOLECULE
DB03963
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	As1     2.8032    -1.5839     1.1334	As	1	noname	0.0245
2	S1     0.7501    -0.7842     0.7299	S.3	1	noname	-0.1517
3	C1     4.0288    -0.0878     1.5082	C.3	1	noname	-0.0489
4	C2     3.4425    -2.5774    -0.4430	C.3	1	noname	-0.0489
5	C3     0.8042     0.3177    -0.6924	C.3	1	noname	0.0173
6	C4    -0.5981     0.8640    -0.9680	C.3	1	noname	0.1003
7	N1    -0.5542     1.7590    -2.1232	N.3	1	noname	-0.3187
8	C5    -1.0719     1.6003     0.2004	C.2	1	noname	0.1441
9	O1    -2.1133     1.2365     0.7884	O.2	1	noname	-0.2494
10	O2    -0.3854     2.6740     0.6456	O.3	1	noname	-0.2138
11	H1     4.1309     0.0369     2.5862	H	1	noname	0.0246
12	H2     5.0052    -0.3002     1.0728	H	1	noname	0.0246
13	H3     3.6283     0.8278     1.0728	H	1	noname	0.0246
14	H4     3.3656    -3.6480    -0.2535	H	1	noname	0.0246
15	H5     2.8330    -2.3169    -1.3084	H	1	noname	0.0246
16	H6     4.4825    -2.3169    -0.6394	H	1	noname	0.0246
17	H7     1.3864     1.2048    -0.4427	H	1	noname	0.0400
18	H8     1.0424    -0.2563    -1.5878	H	1	noname	0.0400
19	H9    -1.3117     0.0678    -1.1799	H	1	noname	0.0580
20	H10    -1.4130     2.0681    -2.5555	H	1	noname	0.1192
21	H11     0.3351     2.0681    -2.4889	H	1	noname	0.1192
22	H12    -0.3834     2.6770     1.6056	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	4	1
4	2	5	1
5	5	6	1
6	6	7	1
7	6	8	1
8	8	9	2
9	8	10	1
10	3	11	1
11	3	12	1
12	3	13	1
13	4	14	1
14	4	15	1
15	4	16	1
16	5	17	1
17	5	18	1
18	6	19	1
19	7	20	1
20	7	21	1
21	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1