@<TRIPOS>MOLECULE
DB06782
14 13 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.1965    -0.1859     0.3822	S.3	1	noname	-0.1726
2	C1    -0.3132     0.2772    -0.4817	C.3	1	noname	0.0337
3	C2    -0.2440    -0.2144    -1.9288	C.3	1	noname	0.0042
4	C3    -0.4626     1.7998    -0.4669	C.3	1	noname	0.0556
5	S2    -0.0682    -2.0058    -1.9462	S.3	1	noname	-0.1780
6	O1    -0.5268     2.2562     0.8763	O.3	1	noname	-0.3951
7	H1     0.9946    -0.1240     1.6852	H	1	noname	0.1026
8	H2    -1.2634    -0.1002    -0.1037	H	1	noname	0.0446
9	H3    -1.2134     0.0596    -2.3452	H	1	noname	0.0389
10	H4     0.6654     0.2436    -2.3179	H	1	noname	0.0389
11	H5     0.4496     2.2326    -0.8777	H	1	noname	0.0575
12	H6    -1.4291     2.0486    -0.9050	H	1	noname	0.0575
13	H7    -0.0241    -2.4556    -0.7060	H	1	noname	0.1022
14	H8    -0.5551     1.5019     1.4695	H	1	noname	0.2100
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	1	7	1
7	2	8	1
8	3	9	1
9	3	10	1
10	4	11	1
11	4	12	1
12	5	13	1
13	6	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1