@<TRIPOS>MOLECULE
92135714
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.6654     3.9214    -0.2037	S	1	noname	-0.0467
2	O1     1.6125    -1.1567    -0.2359	O.3	1	noname	-0.2841
3	O2     2.5814     4.4184    -1.5341	O.3	1	noname	-0.1486
4	O3     1.8092     4.9877     0.9669	O.2	1	noname	-0.1687
5	O4     0.1374     3.8019    -0.6271	O.2	1	noname	-0.1687
6	C1     3.1469    -0.0908     1.2272	C.2	1	noname	0.0062
7	C2     2.2337     2.3823     0.3452	C.2	1	noname	0.0223
8	C3     2.1435    -0.0223     0.2677	C.2	1	noname	0.0171
9	C4     1.6869     1.2143    -0.1734	C.2	1	noname	0.0458
10	C5     3.6936     1.0772     1.7457	C.2	1	noname	-0.0315
11	C6     3.2370     2.3138     1.3047	C.2	1	noname	0.0082
12	C7     3.6265    -1.3897     1.6904	C.3	1	noname	0.0144
13	H1     0.9506     1.2646    -0.8775	H	1	noname	0.0667
14	H2     4.4299     1.0269     2.4498	H	1	noname	0.0626
15	H3     3.6382     3.1709     1.6852	H	1	noname	0.0639
16	H4     3.4616    -1.4759     2.7644	H	1	noname	0.0280
17	H5     3.0842    -2.1822     1.1748	H	1	noname	0.0280
18	H6     4.6917    -1.4806     1.4778	H	1	noname	0.0280
19	H7     0.9237    -0.9304    -0.8953	H	1	noname	0.2182
20	H8     3.3978     4.8613    -1.2215	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	3	1
2	1	4	2
3	1	5	2
4	1	7	1
5	2	8	1
6	2	19	1
7	3	20	1
8	6	8	2
9	6	10	1
10	6	12	1
11	7	9	2
12	7	11	1
13	8	9	1
14	9	13	1
15	10	11	2
16	10	14	1
17	11	15	1
18	12	16	1
19	12	17	1
20	12	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1