@<TRIPOS>MOLECULE
71587516
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -4.1434     0.6752     0.3258	S.3	1	noname	-0.0277
2	O1     0.3777    -0.5627     0.9006	O.2	1	noname	-0.2978
3	O2    -6.3272     1.6094     1.3488	O.2	1	noname	-0.2837
4	C1    -1.5769    -0.0968    -0.4844	C.3	1	noname	0.0322
5	C2    -1.5467     1.0229    -1.6013	C.3	1	noname	-0.0419
6	C3     0.6983     0.2104    -2.4439	C.3	1	noname	-0.0373
7	C4    -2.4002     0.3342     0.8030	C.3	1	noname	0.0276
8	C5    -0.7630     0.5849    -2.8444	C.3	1	noname	-0.0495
9	C6     0.7517    -0.8686    -1.3284	C.3	1	noname	0.0090
10	C7    -0.1439    -0.5131    -0.2313	C.2	1	noname	0.1359
11	C8    -2.5006    -0.9090     1.7558	C.3	1	noname	-0.0496
12	C9    -1.7641     1.6117     1.4450	C.3	1	noname	-0.0496
13	C10     1.4631    -0.2870    -3.6838	C.3	1	noname	-0.0621
14	C11    -5.1489     1.2797     1.6366	C.2	1	noname	0.1286
15	C12    -4.7834     1.4579     3.0370	C.3	1	noname	0.0049
16	H1    -2.0641    -0.9670    -0.9417	H	1	noname	0.0397
17	H2    -2.5488     1.2881    -1.9375	H	1	noname	0.0274
18	H3    -1.0592     1.9330    -1.2466	H	1	noname	0.0274
19	H4     1.2000     1.1153    -2.0666	H	1	noname	0.0304
20	H5    -1.2734    -0.2629    -3.3242	H	1	noname	0.0269
21	H6    -0.7505     1.4289    -3.5487	H	1	noname	0.0269
22	H7     0.4581    -1.8579    -1.6958	H	1	noname	0.0349
23	H8     1.7899    -0.9225    -0.9663	H	1	noname	0.0349
24	H9    -0.7225     1.4348     1.6765	H	1	noname	0.0245
25	H10    -2.2577     1.9119     2.3601	H	1	noname	0.0245
26	H11    -1.8018     2.4545     0.7553	H	1	noname	0.0245
27	H12    -1.5275    -1.3093     2.0416	H	1	noname	0.0245
28	H13    -3.0480    -0.7025     2.6572	H	1	noname	0.0245
29	H14    -2.9954    -1.7570     1.2784	H	1	noname	0.0245
30	H15     2.4892    -0.5494    -3.4092	H	1	noname	0.0233
31	H16     0.9568    -1.1720    -4.0855	H	1	noname	0.0233
32	H17     1.4782     0.5009    -4.4409	H	1	noname	0.0233
33	H18    -4.6014     0.4933     3.5145	H	1	noname	0.0319
34	H19    -5.5876     1.9760     3.5594	H	1	noname	0.0319
35	H20    -3.8360     1.9940     3.0936	H	1	noname	0.0319
@<TRIPOS>BOND
1	1	7	1
2	1	14	1
3	2	10	2
4	3	14	2
5	4	5	1
6	4	7	1
7	4	10	1
8	4	16	1
9	5	8	1
10	5	17	1
11	5	18	1
12	6	8	1
13	6	9	1
14	6	13	1
15	6	19	1
16	7	11	1
17	7	12	1
18	8	20	1
19	8	21	1
20	9	10	1
21	9	22	1
22	9	23	1
23	11	27	1
24	11	28	1
25	11	29	1
26	12	24	1
27	12	25	1
28	12	26	1
29	13	30	1
30	13	31	1
31	13	32	1
32	14	15	1
33	15	33	1
34	15	34	1
35	15	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1