@<TRIPOS>MOLECULE
64164036
23 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.4226    -3.9430     1.0122	S.3	1	noname	-0.1648
2	O1     0.7829     0.1230    -0.0706	O.2	1	noname	-0.2992
3	C1    -1.3717     0.9138     0.4308	C.3	1	noname	0.0058
4	C2    -0.9027    -1.5132    -0.1025	C.3	1	noname	0.0151
5	C3    -1.3604     1.9908    -0.6559	C.3	1	noname	-0.0492
6	C4    -0.4293    -0.1439     0.0776	C.2	1	noname	0.1331
7	C5    -0.8389    -2.2548     1.2343	C.3	1	noname	-0.0001
8	C6    -2.3480     3.0992    -0.2858	C.3	1	noname	-0.0650
9	C7    -1.3476    -4.8155     2.5849	C.3	1	noname	-0.0184
10	H1    -2.3739     0.4939     0.5159	H	1	noname	0.0346
11	H2    -1.0810     1.3562     1.3837	H	1	noname	0.0346
12	H3    -1.9320    -1.4976    -0.4606	H	1	noname	0.0354
13	H4    -0.2722    -2.0227    -0.8311	H	1	noname	0.0354
14	H5    -1.6512     1.5484    -1.6088	H	1	noname	0.0268
15	H6    -0.3582     2.4107    -0.7410	H	1	noname	0.0268
16	H7    -1.4695    -1.7452     1.9629	H	1	noname	0.0384
17	H8     0.1904    -2.2704     1.5924	H	1	noname	0.0384
18	H9    -2.3400     3.8664    -1.0600	H	1	noname	0.0230
19	H10    -3.3503     2.6793    -0.2007	H	1	noname	0.0230
20	H11    -2.0573     3.5415     0.6671	H	1	noname	0.0230
21	H12    -1.7010    -5.8378     2.4504	H	1	noname	0.0343
22	H13    -1.9781    -4.3059     3.3135	H	1	noname	0.0343
23	H14    -0.3182    -4.8311     2.9430	H	1	noname	0.0343
@<TRIPOS>BOND
1	1	7	1
2	1	9	1
3	2	6	2
4	3	5	1
5	3	6	1
6	3	10	1
7	3	11	1
8	4	6	1
9	4	7	1
10	4	12	1
11	4	13	1
12	5	8	1
13	5	14	1
14	5	15	1
15	7	16	1
16	7	17	1
17	8	18	1
18	8	19	1
19	8	20	1
20	9	21	1
21	9	22	1
22	9	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1