@<TRIPOS>MOLECULE
71587176
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -3.1661     1.4739    -2.2441	S	1	noname	0.0378
2	O1    -1.3925    -1.7166     0.4441	O.3	1	noname	-0.1843
3	O2    -2.9668    -1.6159     2.7833	O.3	1	noname	-0.3874
4	O3    -1.6292     0.8152    -1.9988	O.3	1	noname	-0.0453
5	O4    -4.1306     0.8516     3.4781	O.3	1	noname	-0.3934
6	O5    -1.0284     1.7845     0.6214	O.3	1	noname	-0.2681
7	O6    -2.5434    -2.0055    -1.6553	O.2	1	noname	-0.2375
8	O7    -3.0649     3.1608    -2.2297	O.3	1	noname	-0.1143
9	O8    -3.7327     0.9889    -3.6483	O.2	1	noname	-0.1251
10	O9    -4.1408     0.9915    -1.0841	O.2	1	noname	-0.1251
11	C1    -1.4533    -0.5356     1.2510	C.3	1	noname	0.1445
12	C2    -2.8082    -0.4707     1.9588	C.3	1	noname	0.1102
13	C3    -1.3511     0.5404     0.3205	C.2	1	noname	0.0752
14	C4    -2.8732     0.7914     2.8212	C.3	1	noname	0.0722
15	C5    -1.6317     0.0918    -0.8947	C.2	1	noname	0.1533
16	C6    -1.9379    -1.3047    -0.8159	C.2	1	noname	0.1529
17	H1    -0.6793    -0.5068     2.0179	H	1	noname	0.0712
18	H2    -3.6054    -0.4446     1.2159	H	1	noname	0.0656
19	H3    -2.7514     1.6705     2.1883	H	1	noname	0.0591
20	H4    -2.0760     0.7653     3.5641	H	1	noname	0.0591
21	H5    -2.9252    -2.4244     2.2309	H	1	noname	0.2106
22	H6    -4.1722     1.6601     4.0304	H	1	noname	0.2101
23	H7    -1.0280     2.3282    -0.1939	H	1	noname	0.2179
24	H8    -3.0458     3.4790    -1.3030	H	1	noname	0.2408
@<TRIPOS>BOND
1	1	4	1
2	1	8	1
3	1	9	2
4	1	10	2
5	2	11	1
6	2	16	1
7	12	3	1
8	3	21	1
9	4	15	1
10	5	14	1
11	5	22	1
12	6	13	1
13	6	23	1
14	7	16	2
15	8	24	1
16	11	12	1
17	11	13	1
18	11	17	1
19	12	14	1
20	12	18	1
21	13	15	2
22	14	19	1
23	14	20	1
24	15	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1