@<TRIPOS>MOLECULE
101321424
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.5292    -0.7249    -0.6678	S	1	noname	-0.0350
2	O1     2.4031    -0.4198    -0.7100	O.3	1	noname	-0.2521
3	O2    -0.6921    -2.4040    -0.7696	O.3	1	noname	-0.1469
4	O3     4.0030     0.2149     1.4219	O.3	1	noname	-0.2737
5	O4    -1.9620    -0.0644    -0.4704	O.2	1	noname	-0.1662
6	O5     0.1285    -0.1741    -2.0065	O.2	1	noname	-0.1662
7	C1     0.4810    -0.3242     0.6783	C.2	1	noname	0.0560
8	C2     1.8559    -0.2140     0.5068	C.2	1	noname	0.0959
9	C3    -0.0824    -0.1123     1.9312	C.2	1	noname	0.0163
10	C4     2.6676     0.1080     1.5883	C.2	1	noname	0.0482
11	C5     0.7292     0.2097     3.0127	C.2	1	noname	-0.0383
12	C6     2.1042     0.3198     2.8413	C.2	1	noname	0.0107
13	C7     2.7344    -1.7931    -0.8540	C.3	1	noname	0.0425
14	H1    -1.0914    -0.1931     2.0570	H	1	noname	0.0640
15	H2     0.3158     0.3652     3.9321	H	1	noname	0.0624
16	H3     2.6998     0.5561     3.6349	H	1	noname	0.0651
17	H4     3.1762    -1.9592    -1.8365	H	1	noname	0.0535
18	H5     1.8324    -2.3968    -0.7544	H	1	noname	0.0535
19	H6     3.4490    -2.0773    -0.0815	H	1	noname	0.0535
20	H7    -1.1366    -2.6386    -1.6109	H	1	noname	0.2388
21	H8     4.4214     0.4457     2.2775	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	3	1
2	1	5	2
3	1	6	2
4	1	7	1
5	2	8	1
6	2	13	1
7	3	20	1
8	4	10	1
9	4	21	1
10	7	8	1
11	7	9	2
12	8	10	2
13	9	11	1
14	9	14	1
15	10	12	1
16	11	12	2
17	11	15	1
18	12	16	1
19	13	17	1
20	13	18	1
21	13	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1