@<TRIPOS>MOLECULE
76970154
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.0108    -1.0632    -0.0386	S	1	noname	-0.0353
2	O1     3.1079    -1.1694     2.9305	O.3	1	noname	-0.2653
3	O2     0.6355    -2.0846     2.1839	O.3	1	noname	-0.2620
4	O3    -0.8338    -2.2968    -1.1802	O.3	1	noname	-0.1469
5	O4    -1.8483     0.1301    -0.6733	O.2	1	noname	-0.1662
6	O5    -1.7747    -1.6270     1.2368	O.2	1	noname	-0.1662
7	C1     0.5502    -0.4854     0.4327	C.2	1	noname	0.0529
8	C2     2.3974     1.0257     0.1153	C.2	1	noname	-0.0358
9	C3     1.1432     0.5614    -0.2635	C.2	1	noname	0.0117
10	C4     1.2114    -1.0679     1.5077	C.2	1	noname	0.0867
11	C5     2.4657    -0.6036     1.8864	C.2	1	noname	0.0461
12	C6     3.0587     0.4431     1.1902	C.2	1	noname	0.0069
13	C7     3.0203     2.1251    -0.6160	C.3	1	noname	0.0000
14	C8     2.7572    -0.4894     4.1267	C.3	1	noname	0.0424
15	H1     0.6579     0.9888    -1.0523	H	1	noname	0.0643
16	H2     3.9790     0.7838     1.4682	H	1	noname	0.0653
17	H3     3.2013     2.9574     0.0642	H	1	noname	0.0279
18	H4     2.3577     2.4492    -1.4185	H	1	noname	0.0279
19	H5     3.9669     1.7896    -1.0396	H	1	noname	0.0279
20	H6     1.2312    -2.3759     2.9054	H	1	noname	0.2183
21	H7     3.2758    -0.9462     4.9697	H	1	noname	0.0535
22	H8     1.6805    -0.5586     4.2817	H	1	noname	0.0535
23	H9     3.0462     0.5586     4.0470	H	1	noname	0.0535
24	H10    -1.7168    -2.6445    -1.4250	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	4	1
2	1	5	2
3	1	6	2
4	1	7	1
5	2	11	1
6	2	14	1
7	3	10	1
8	3	20	1
9	4	24	1
10	7	9	2
11	7	10	1
12	8	9	1
13	8	12	2
14	8	13	1
15	9	15	1
16	10	11	2
17	11	12	1
18	12	16	1
19	13	17	1
20	13	18	1
21	13	19	1
22	14	21	1
23	14	22	1
24	14	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1