@<TRIPOS>MOLECULE
91617718
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	As1    -0.4609     4.3215    -0.5524	As	1	noname	0.1865
2	O1     0.8784     5.5595    -0.1340	O.3	1	noname	-0.2382
3	O2    -1.9437     4.5324     0.5664	O.3	1	noname	-0.2382
4	O3    -0.9152     4.4454    -2.2472	O.2	1	noname	-0.2954
5	O4     3.5832    -2.6993     0.4292	O.2	1	noname	-0.2773
6	N1     1.9204    -1.2021     0.4393	N.3	1	noname	-0.1387
7	C1    -0.0124     0.1210    -0.2411	C.2	1	noname	-0.0190
8	C2     0.2313     2.5712    -0.2741	C.2	1	noname	-0.0061
9	C3     1.2896     0.0185     0.3211	C.2	1	noname	-0.0123
10	C4    -0.5436     1.4150    -0.5113	C.2	1	noname	-0.0099
11	C5     1.5258     2.4602     0.2754	C.2	1	noname	-0.0132
12	C6     1.9636     1.2028     0.6750	C.2	1	noname	-0.0233
13	C7    -0.8621    -1.0741    -0.5413	C.3	1	noname	0.0068
14	C8     3.2478    -1.5145     0.1910	C.2	1	noname	0.1272
15	C9     4.3163    -0.6654    -0.3777	C.3	1	noname	0.0098
16	H1    -1.5169     1.5238    -0.8395	H	1	noname	0.0633
17	H2     2.1534     3.2693     0.3696	H	1	noname	0.0631
18	H3     2.8505     1.1526     1.1851	H	1	noname	0.0639
19	H4    -1.7329    -1.0308     0.1133	H	1	noname	0.0280
20	H5    -1.1641    -1.0748    -1.5920	H	1	noname	0.0280
21	H6    -0.3786    -2.0332    -0.3571	H	1	noname	0.0280
22	H7     1.3404    -1.9487     0.6444	H	1	noname	0.1370
23	H8    -1.5866     4.4140     1.4721	H	1	noname	0.2162
24	H9     3.9014     0.2072    -0.8896	H	1	noname	0.0324
25	H10     4.9101    -1.2503    -1.0801	H	1	noname	0.0324
26	H11     5.0080    -0.3857     0.4169	H	1	noname	0.0324
27	H12     0.5290     6.4684    -0.2441	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	27	1
6	3	23	1
7	5	14	2
8	6	9	1
9	6	14	1
10	6	22	1
11	7	9	2
12	7	10	1
13	7	13	1
14	8	10	2
15	8	11	1
16	9	12	1
17	10	16	1
18	11	12	2
19	11	17	1
20	12	18	1
21	13	19	1
22	13	20	1
23	13	21	1
24	14	15	1
25	15	24	1
26	15	25	1
27	15	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1