@<TRIPOS>MOLECULE
76970961
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.5810    -0.7744    -0.5781	S	1	noname	-0.0485
2	O1     3.1524     0.6702     3.7014	O.3	1	noname	-0.2633
3	O2    -0.8065    -2.4492    -0.5874	O.3	1	noname	-0.1486
4	O3     0.4614     0.5690     4.2072	O.3	1	noname	-0.2751
5	O4    -1.9761    -0.0531    -0.3302	O.2	1	noname	-0.1687
6	O5     0.0133    -0.3118    -1.9785	O.2	1	noname	-0.1687
7	C1     0.5212    -0.3479     0.6853	C.2	1	noname	0.0114
8	C2     1.8863    -0.2965     0.4287	C.2	1	noname	0.0224
9	C3     2.7719     0.0461     1.4438	C.2	1	noname	-0.0032
10	C4     0.0416    -0.0566     1.9570	C.2	1	noname	0.0558
11	C5     2.2923     0.3374     2.7155	C.2	1	noname	0.0559
12	C6     0.9272     0.2861     2.9721	C.2	1	noname	0.0383
13	C7     2.3901    -0.6025    -0.9071	C.3	1	noname	0.0163
14	C8     3.5660    -0.5037     4.3850	C.3	1	noname	0.0424
15	H1     3.7737     0.0838     1.2555	H	1	noname	0.0654
16	H2    -0.9601    -0.0943     2.1453	H	1	noname	0.0668
17	H3     3.0703    -1.4525    -0.8530	H	1	noname	0.0280
18	H4     1.5547    -0.8468    -1.5633	H	1	noname	0.0280
19	H5     2.9213     0.2634    -1.3022	H	1	noname	0.0280
20	H6    -0.5151     0.4862     4.2150	H	1	noname	0.2183
21	H7     4.2605    -0.2350     5.1810	H	1	noname	0.0535
22	H8     2.6956    -0.9999     4.8143	H	1	noname	0.0535
23	H9     4.0595    -1.1773     3.6843	H	1	noname	0.0535
24	H10    -1.5067    -2.6810    -1.2327	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	3	1
2	1	5	2
3	1	6	2
4	1	7	1
5	2	11	1
6	2	14	1
7	3	24	1
8	4	12	1
9	4	20	1
10	7	8	1
11	7	10	2
12	8	9	2
13	8	13	1
14	9	11	1
15	9	15	1
16	10	12	1
17	10	16	1
18	11	12	2
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