@<TRIPOS>MOLECULE
56841614
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	As1    -1.3863     1.3114    -1.4344	As	1	noname	0.1872
2	O1    -3.0431     0.5165    -1.1454	O.3	1	noname	-0.2382
3	O2     2.5338    -0.7522     2.7309	O.3	1	noname	-0.2706
4	O3    -0.7347     0.8927    -3.1338	O.3	1	noname	-0.2382
5	O4    -1.5074     3.0634    -1.2672	O.2	1	noname	-0.2952
6	O5     3.4880     2.2735     0.4636	O.3	1	noname	-0.2239
7	O6     3.9674     0.3645     0.1676	O.2	1	noname	-0.2545
8	N1     3.3212     1.0655     0.8418	N.2	1	noname	-0.1972
9	C1    -0.1882     0.6450    -0.1174	C.2	1	noname	-0.0026
10	C2     1.1254     1.0790    -0.1464	C.2	1	noname	0.0452
11	C3     2.0677     0.6464     0.8232	C.2	1	noname	0.0559
12	C4    -0.5873    -0.2755     0.8511	C.2	1	noname	-0.0055
13	C5     1.6569    -0.2885     1.8035	C.2	1	noname	0.0585
14	C6     0.3243    -0.7482     1.8059	C.2	1	noname	-0.0035
15	H1     1.3498     1.7086    -0.9073	H	1	noname	0.0665
16	H2    -1.5424    -0.5970     0.8434	H	1	noname	0.0631
17	H3     0.0150    -1.4203     2.4968	H	1	noname	0.0651
18	H4    -3.6426     0.8723    -1.8284	H	1	noname	0.2162
19	H5     2.0497    -1.3857     3.3019	H	1	noname	0.2183
20	H6    -0.6631    -0.0843    -3.1841	H	1	noname	0.2162
21	H7     2.8001     2.4957    -0.2134	H	1	noname	0.2597
22	H8     3.6420     1.0285     1.7118	H	1	noname	0.2776
@<TRIPOS>BOND
1	1	2	1
2	1	4	1
3	1	5	2
4	1	9	1
5	2	18	1
6	3	13	1
7	3	19	1
8	4	20	1
9	6	8	1
10	6	21	1
11	7	8	2
12	8	11	1
13	8	22	1
14	9	10	2
15	9	12	1
16	10	11	1
17	10	15	1
18	11	13	2
19	12	14	2
20	12	16	1
21	13	14	1
22	14	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1