@<TRIPOS>MOLECULE
71587779
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.5589     3.3791    -0.3700	S	1	noname	-0.0482
2	O1     1.8364     4.6952    -1.1458	O.3	1	noname	-0.1487
3	O2     3.4602     3.9014     0.8312	O.2	1	noname	-0.1689
4	O3     3.4659     2.5852    -1.4070	O.2	1	noname	-0.1689
5	C1    -1.6786    -0.2506     1.7536	C.3	1	noname	0.0150
6	C2    -0.6423     0.6371     1.2342	C.2	1	noname	-0.0178
7	C3    -3.0567     0.3208     1.4141	C.3	1	noname	-0.0587
8	C4    -1.5353    -0.3682     3.2723	C.3	1	noname	-0.0587
9	C5    -0.1463     0.4494    -0.0506	C.2	1	noname	-0.0361
10	C6    -0.1516     1.6698     2.0247	C.2	1	noname	-0.0361
11	C7     1.3309     2.3273     0.2453	C.2	1	noname	0.0168
12	C8     0.8403     1.2945    -0.5451	C.2	1	noname	0.0211
13	C9     0.8350     2.5149     1.5302	C.2	1	noname	0.0211
14	H1    -1.5726    -1.2366     1.3012	H	1	noname	0.0346
15	H2    -3.8304    -0.3419     1.8018	H	1	noname	0.0236
16	H3    -3.1588     0.4046     0.3321	H	1	noname	0.0236
17	H4    -3.1627     1.3068     1.8665	H	1	noname	0.0236
18	H5    -2.3090    -1.0309     3.6601	H	1	noname	0.0236
19	H6    -1.6413     0.6178     3.7247	H	1	noname	0.0236
20	H7    -0.5535    -0.7752     3.5142	H	1	noname	0.0236
21	H8    -0.5064    -0.3084    -0.6307	H	1	noname	0.0626
22	H9    -0.5155     1.8075     2.9675	H	1	noname	0.0626
23	H10     1.2042     1.1568    -1.4880	H	1	noname	0.0639
24	H11     1.1951     3.2727     2.1103	H	1	noname	0.0639
25	H12     2.5319     5.2961    -1.4859	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	11	1
5	2	25	1
6	5	6	1
7	5	7	1
8	5	8	1
9	5	14	1
10	6	9	2
11	6	10	1
12	7	15	1
13	7	16	1
14	7	17	1
15	8	18	1
16	8	19	1
17	8	20	1
18	9	12	1
19	9	21	1
20	10	13	2
21	10	22	1
22	11	12	2
23	11	13	1
24	12	23	1
25	13	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1