@<TRIPOS>MOLECULE
66844900
24 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.9973     2.1905     5.1121	S	1	noname	0.0451
2	O1     0.6839     1.8229    -0.3458	O.3	1	noname	-0.2450
3	O2    -0.9790     0.2184    -0.9907	O.3	1	noname	-0.2453
4	O3     0.5735     2.1396     4.8710	O.2	1	noname	-0.1918
5	O4    -1.2990     2.9351     6.4842	O.2	1	noname	-0.1918
6	C1    -1.7833     3.0819     3.7603	C.3	1	noname	0.0820
7	C2    -1.6155     2.3310     2.5195	C.2	1	noname	-0.0468
8	C3    -0.4676     2.5730     1.6989	C.2	1	noname	-0.0094
9	C4    -0.3406     1.7913     0.5205	C.2	1	noname	0.0328
10	C5    -1.3090     0.8485     0.1474	C.2	1	noname	0.0307
11	C6    -2.5990     1.3663     2.1432	C.2	1	noname	-0.0515
12	C7    -2.4687     0.6139     0.9323	C.2	1	noname	-0.0159
13	C8    -1.6480     0.5138     5.1837	C.3	1	noname	0.0462
14	C9     0.1565     1.0025    -1.4071	C.3	1	noname	0.1587
15	H1    -2.8459     3.2004     3.9724	H	1	noname	0.0513
16	H2    -1.3220     4.0640     3.6558	H	1	noname	0.0513
17	H3     0.2279     3.2757     1.9497	H	1	noname	0.0654
18	H4    -3.4067     1.2109     2.7464	H	1	noname	0.0626
19	H5    -3.1777    -0.0610     0.6460	H	1	noname	0.0651
20	H6    -2.7375     0.5465     5.1823	H	1	noname	0.0426
21	H7    -1.3003    -0.0482     4.3169	H	1	noname	0.0426
22	H8    -1.3003     0.0277     6.0953	H	1	noname	0.0426
23	H9    -0.1274     1.6349    -2.2483	H	1	noname	0.0892
24	H10     0.9371     0.3521    -1.8018	H	1	noname	0.0892
@<TRIPOS>BOND
1	1	4	2
2	1	5	2
3	1	6	1
4	1	13	1
5	2	9	1
6	2	14	1
7	3	10	1
8	3	14	1
9	6	7	1
10	6	15	1
11	6	16	1
12	7	8	2
13	7	11	1
14	8	9	1
15	8	17	1
16	9	10	2
17	10	12	1
18	11	12	2
19	11	18	1
20	12	19	1
21	13	20	1
22	13	21	1
23	13	22	1
24	14	23	1
25	14	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1