@<TRIPOS>MOLECULE
71587283
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -3.7740    -1.4674     0.3498	S.3	1	noname	-0.1287
2	O1     0.8076    -0.2433    -1.1525	O.3	1	noname	-0.2092
3	O2     0.0542     0.5458     0.8178	O.2	1	noname	-0.2603
4	C1     3.0492    -0.3173    -2.0331	C.3	1	noname	-0.0292
5	C2     4.5249    -0.2387    -1.6367	C.3	1	noname	-0.0539
6	C3     2.1772    -0.1704    -0.7846	C.3	1	noname	0.0567
7	C4     5.3969    -0.3857    -2.8853	C.3	1	noname	-0.0653
8	C5    -0.1515    -0.1377    -0.2084	C.2	1	noname	0.0979
9	C6    -1.3415    -0.7749    -0.3737	C.2	1	noname	0.0677
10	C7    -2.2864    -0.6709     0.5565	C.2	1	noname	0.0009
11	C8    -5.1064    -0.2572     0.3405	C.3	1	noname	-0.0142
12	H1     2.8181     0.4847    -2.7341	H	1	noname	0.0290
13	H2     2.8503    -1.2800    -2.5040	H	1	noname	0.0290
14	H3     4.7238     0.7239    -1.1658	H	1	noname	0.0264
15	H4     4.7560    -1.0408    -0.9357	H	1	noname	0.0264
16	H5     2.3762     0.7923    -0.3137	H	1	noname	0.0573
17	H6     2.4083    -0.9725    -0.0836	H	1	noname	0.0573
18	H7     6.4482    -0.3297    -2.6028	H	1	noname	0.0230
19	H8     5.1658     0.4164    -3.5863	H	1	noname	0.0230
20	H9     5.1980    -1.3483    -3.3562	H	1	noname	0.0230
21	H10    -1.5045    -1.3163    -1.1864	H	1	noname	0.0691
22	H11    -2.1235    -0.1296     1.3692	H	1	noname	0.0698
23	H12    -6.0602    -0.7679     0.2080	H	1	noname	0.0347
24	H13    -5.1124     0.2839     1.2867	H	1	noname	0.0347
25	H14    -4.9535     0.4453    -0.4788	H	1	noname	0.0347
@<TRIPOS>BOND
1	1	10	1
2	1	11	1
3	2	6	1
4	2	8	1
5	3	8	2
6	4	5	1
7	4	6	1
8	4	12	1
9	4	13	1
10	5	7	1
11	5	14	1
12	5	15	1
13	6	16	1
14	6	17	1
15	7	18	1
16	7	19	1
17	7	20	1
18	8	9	1
19	9	10	2
20	9	21	1
21	10	22	1
22	11	23	1
23	11	24	1
24	11	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1