@<TRIPOS>MOLECULE
91663256
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -0.4418     2.4177     2.1969	I	1	noname	-0.0635
2	O1    -2.2324     0.8370    -0.5714	O.2	1	noname	-0.2837
3	O2     1.4759     3.3099    -0.7673	O.2	1	noname	-0.2927
4	O3    -1.2895    -2.9377     2.0317	O.3	1	noname	-0.2146
5	O4    -0.4653    -0.8872     2.4092	O.2	1	noname	-0.2504
6	N1    -0.2183    -0.2544    -0.1822	N.3	1	noname	0.0278
7	C1     1.1616    -0.1442    -0.2536	C.2	1	noname	-0.0520
8	C2    -0.4344     2.2065     0.0857	C.3	1	noname	0.1472
9	C3    -1.0181     0.8966    -0.2611	C.2	1	noname	0.0776
10	C4    -0.9092    -1.5126     0.1005	C.3	1	noname	0.0966
11	C5     1.7313     1.0785    -0.3834	C.2	1	noname	0.0398
12	C6     0.9629     2.2353    -0.3830	C.2	1	noname	0.1095
13	C7     2.0954    -1.2752    -0.2159	C.3	1	noname	-0.0289
14	C8    -0.8900    -1.7295     1.5729	C.2	1	noname	0.1427
15	H1    -1.0308     3.0354    -0.2978	H	1	noname	0.0596
16	H2    -1.9323    -1.5400    -0.2766	H	1	noname	0.0548
17	H3    -0.4004    -2.3617    -0.4001	H	1	noname	0.0548
18	H4     2.7197     1.1900    -0.4947	H	1	noname	0.0673
19	H5     1.6656    -2.2448     0.0069	H	1	noname	0.0290
20	H6     2.6410    -1.3275    -1.1581	H	1	noname	0.0290
21	H7     2.8697    -1.0314     0.5116	H	1	noname	0.0290
22	H8    -1.0988    -3.1948     2.9567	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	8	1
2	2	9	2
3	3	12	2
4	4	14	1
5	4	22	1
6	5	14	2
7	6	7	1
8	6	9	1
9	6	10	1
10	7	11	2
11	7	13	1
12	8	9	1
13	8	12	1
14	8	15	1
15	10	14	1
16	10	16	1
17	10	17	1
18	11	12	1
19	11	18	1
20	13	19	1
21	13	20	1
22	13	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1