@<TRIPOS>MOLECULE
76957520
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	As1     0.8704    -2.3526    -1.1385	As	1	noname	0.1866
2	O1     0.5040    -2.7071    -2.9269	O.3	1	noname	-0.2382
3	O2    -0.5550    -2.8321    -0.0369	O.3	1	noname	-0.2382
4	O3     2.3360    -3.1874    -0.6130	O.2	1	noname	-0.2954
5	O4     1.8163     5.5116     0.9353	O.2	1	noname	-0.2667
6	O5     1.7958     3.1694     3.0781	O.3	1	noname	-0.3870
7	N1     1.8530     3.5954    -0.2323	N.3	1	noname	-0.1316
8	C1     1.1625    -0.4732    -0.9632	C.2	1	noname	-0.0034
9	C2     1.6941     2.2645    -0.5118	C.2	1	noname	-0.0048
10	C3     1.5263    -0.0277     0.3108	C.2	1	noname	-0.0031
11	C4     1.0917     0.4185    -2.0408	C.2	1	noname	-0.0031
12	C5     1.8950     1.3093     0.5012	C.2	1	noname	-0.0204
13	C6     1.3383     1.7844    -1.8127	C.2	1	noname	-0.0204
14	C7     1.5641     4.2828     0.9254	C.2	1	noname	0.1423
15	C8     0.9056     3.7877     2.1506	C.3	1	noname	0.1170
16	H1     1.5362    -0.6863     1.0989	H	1	noname	0.0631
17	H2     0.8737     0.0842    -2.9834	H	1	noname	0.0631
18	H3     2.3267     1.5580     1.3945	H	1	noname	0.0639
19	H4     1.2690     2.4304    -2.5926	H	1	noname	0.0639
20	H5     2.1701     4.1335    -0.9564	H	1	noname	0.1371
21	H6     0.1168     3.0855     1.8806	H	1	noname	0.0661
22	H7     0.5076     4.6486     2.6877	H	1	noname	0.0661
23	H8     0.3334    -3.6653    -3.0417	H	1	noname	0.2162
24	H9     1.2921     2.8668     3.8623	H	1	noname	0.2107
25	H10    -1.3527    -2.3248    -0.2954	H	1	noname	0.2162
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	4	2
4	1	8	1
5	2	23	1
6	3	25	1
7	5	14	2
8	6	15	1
9	6	24	1
10	7	9	1
11	7	14	1
12	7	20	1
13	8	10	2
14	8	11	1
15	9	12	2
16	9	13	1
17	10	12	1
18	10	16	1
19	11	13	2
20	11	17	1
21	12	18	1
22	13	19	1
23	14	15	1
24	15	21	1
25	15	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1