@<TRIPOS>MOLECULE
DB01822
16 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.8183     0.8980    -1.5558	S.3	1	noname	-0.0912
2	S2     1.0447     1.2944    -2.4894	S.3	1	noname	-0.0912
3	C1    -0.7048     1.7404     0.0719	C.3	1	noname	0.0324
4	C2     1.5800     2.8636    -1.7115	C.3	1	noname	0.0324
5	C3     0.7402     1.8297     0.6089	C.3	1	noname	0.0907
6	C4     1.6816     2.7919    -0.1661	C.3	1	noname	0.0907
7	O1     0.7136     2.1964     1.9805	O.3	1	noname	-0.3894
8	O2     3.0280     2.5405     0.2086	O.3	1	noname	-0.3894
9	H1    -0.9801     2.7881    -0.0486	H	1	noname	0.0416
10	H2    -1.2022     1.1294     0.8252	H	1	noname	0.0416
11	H3     2.6080     3.0719    -2.0079	H	1	noname	0.0416
12	H4     0.8057     3.6155    -1.8642	H	1	noname	0.0416
13	H5     1.1684     0.8285     0.5608	H	1	noname	0.0636
14	H6     1.4162     3.7909     0.1800	H	1	noname	0.0636
15	H7     0.7031     1.4046     2.5232	H	1	noname	0.2105
16	H8     3.0966     2.5277     1.1660	H	1	noname	0.2105
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	5	6	1
8	6	8	1
9	3	9	1
10	3	10	1
11	4	11	1
12	4	12	1
13	5	13	1
14	6	14	1
15	7	15	1
16	8	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1