@<TRIPOS>MOLECULE
90479508
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     1.4806     3.7413    -1.1524	I	1	noname	-0.0413
2	I2    -2.1340     2.1805     3.3198	I	1	noname	-0.0413
3	S1    -0.9089    -1.4098    -0.9122	S	1	noname	-0.0472
4	O1     0.2754    -2.4610    -0.3219	O.3	1	noname	-0.1486
5	O2    -0.2040     3.8820     1.5043	O.3	1	noname	-0.2694
6	O3    -0.7741    -1.2931    -2.4922	O.2	1	noname	-0.1688
7	O4    -2.3492    -1.9733    -0.5434	O.2	1	noname	-0.1688
8	C1    -0.7008     0.1525    -0.1988	C.2	1	noname	0.0269
9	C2    -1.3475     0.4647     0.9913	C.2	1	noname	0.0590
10	C3     0.1130     1.0954    -0.8157	C.2	1	noname	0.0590
11	C4     0.2803     2.3506    -0.2425	C.2	1	noname	0.0366
12	C5    -1.1803     1.7200     1.5645	C.2	1	noname	0.0366
13	C6    -0.3664     2.6629     0.9476	C.2	1	noname	0.0801
14	H1    -1.9447    -0.2272     1.4440	H	1	noname	0.0651
15	H2     0.5876     0.8663    -1.6891	H	1	noname	0.0651
16	H3     1.1625    -2.1249    -0.5680	H	1	noname	0.2388
17	H4     0.3958     4.4190     0.9456	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	11	1
2	2	12	1
3	3	4	1
4	3	6	2
5	3	7	2
6	3	8	1
7	4	16	1
8	5	13	1
9	5	17	1
10	8	9	2
11	8	10	1
12	9	12	1
13	9	14	1
14	10	11	2
15	10	15	1
16	11	13	1
17	12	13	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1