@<TRIPOS>MOLECULE
71587259
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Hg1    -3.3918     2.8128     0.6353	Hg	1	noname	0.1477
2	I1    -2.8341    -3.2913     0.4934	I	1	noname	-0.0414
3	I2     5.8580     3.1201    -1.2905	I	1	noname	-0.0400
4	S1     4.3526    -0.0168     1.7407	S	1	noname	-0.0429
5	O1    -0.1379     2.3258     0.2449	O.3	1	noname	-0.2020
6	O2     3.1213     0.6958     2.6529	O.3	1	noname	-0.1482
7	O3    -4.1208    -0.3272     0.6560	O.3	1	noname	-0.2821
8	O4     5.3598    -0.7744     2.7101	O.2	1	noname	-0.1681
9	O5     5.1364     1.1092     0.9371	O.2	1	noname	-0.1681
10	O6     3.5133     5.2120    -0.5865	O.2	1	noname	-0.2919
11	C1     1.4886     0.0739    -0.0002	C.2	1	noname	0.0141
12	C2     0.0830    -0.0702     0.2764	C.2	1	noname	-0.0136
13	C3     2.0120     1.3829    -0.2560	C.2	1	noname	0.0156
14	C4     2.3872    -1.0779    -0.0622	C.2	1	noname	0.0403
15	C5    -0.7259     1.0950     0.3395	C.2	1	noname	0.0117
16	C6     1.1989     2.5243    -0.0029	C.2	1	noname	0.0181
17	C7     3.6645    -1.1472     0.6266	C.2	1	noname	0.0372
18	C8    -0.5718    -1.3029     0.4819	C.2	1	noname	-0.0076
19	C9     3.3293     1.6362    -0.7573	C.2	1	noname	0.0208
20	C10     2.0129    -2.2078    -0.8536	C.2	1	noname	-0.0212
21	C11    -2.1408     1.0153     0.4528	C.2	1	noname	-0.0040
22	C12     1.6992     3.8492    -0.0887	C.2	1	noname	0.0735
23	C13     4.5065    -2.2771     0.5006	C.2	1	noname	0.0253
24	C14    -1.9732    -1.4142     0.5081	C.2	1	noname	-0.0064
25	C15    -2.7604    -0.2514     0.5089	C.2	1	noname	0.0165
26	C16     3.8606     2.9372    -0.7785	C.2	1	noname	0.0656
27	C17     2.8343    -3.3653    -0.9225	C.2	1	noname	-0.0200
28	C18     3.0467     4.0522    -0.4731	C.2	1	noname	0.0996
29	C19     4.0883    -3.4018    -0.2616	C.2	1	noname	-0.0342
30	H1    -0.0605    -2.1646     0.6301	H	1	noname	0.0642
31	H2     3.9375     0.8842    -1.0620	H	1	noname	0.0642
32	H3     1.1475    -2.2011    -1.3889	H	1	noname	0.0629
33	H4     1.0966     4.6443     0.1235	H	1	noname	0.0692
34	H5     5.4178    -2.2847     0.9588	H	1	noname	0.0640
35	H6     2.5188    -4.1777    -1.4525	H	1	noname	0.0622
36	H7     4.6841    -4.2266    -0.3324	H	1	noname	0.0623
37	H8     3.5140     1.3072     3.3105	H	1	noname	0.2388
38	H9    -4.4950     0.5772     0.7048	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	21	1
2	2	24	1
3	3	26	1
4	4	6	1
5	4	8	2
6	4	9	2
7	4	17	1
8	5	15	1
9	5	16	1
10	6	37	1
11	7	25	1
12	7	38	1
13	10	28	2
14	11	12	1
15	11	13	2
16	11	14	1
17	12	15	1
18	12	18	2
19	13	16	1
20	13	19	1
21	14	17	1
22	14	20	2
23	15	21	2
24	16	22	2
25	17	23	2
26	18	24	1
27	18	30	1
28	19	26	2
29	19	31	1
30	20	27	1
31	20	32	1
32	21	25	1
33	22	28	1
34	22	33	1
35	23	29	1
36	23	34	1
37	24	25	2
38	26	28	1
39	27	29	2
40	27	35	1
41	29	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1