@<TRIPOS>MOLECULE
DB04619
17 17 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9450    -1.2038     0.0000	O.2	1	noname	-0.2987
2	C1    -0.6950    -1.2038     0.0000	C.2	1	noname	0.0923
3	C2     0.0000     0.0000     0.0000	C.2	1	noname	-0.0195
4	C3     0.0350    -2.4682     0.0000	C.3	1	noname	-0.0010
5	C4     1.3900     0.0000     0.0000	C.2	1	noname	-0.0201
6	C5    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0201
7	C6     2.0850     1.2038     0.0000	C.2	1	noname	-0.0488
8	C7    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0488
9	C8     1.3900     2.4076     0.0000	C.2	1	noname	-0.0420
10	H1     0.2167    -2.7828     1.0277	H	1	noname	0.0313
11	H2    -0.5541    -3.2278    -0.5138	H	1	noname	0.0313
12	H3     0.9874    -2.3378    -0.5138	H	1	noname	0.0313
13	H4     1.9350    -0.9440     0.0000	H	1	noname	0.0630
14	H5    -1.7850     1.2038     0.0000	H	1	noname	0.0630
15	H6     3.1750     1.2038     0.0000	H	1	noname	0.0622
16	H7    -0.5450     3.3515     0.0000	H	1	noname	0.0622
17	H8     1.9350     3.3515     0.0000	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	5	7	1
7	6	8	2
8	7	9	2
9	8	9	1
10	4	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
17	9	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1