@<TRIPOS>MOLECULE
DB03848
15 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.8650    -1.4982    -0.0000	S.2	1	noname	0.1194
2	O1    -2.4282    -1.2077     0.0000	O.2	1	noname	-0.2709
3	O2    -0.4567    -2.3844     1.3799	O.3	1	noname	-0.2276
4	C1     0.0000    -0.0000     0.0000	C.2	1	noname	-0.0054
5	C2    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0102
6	C3     1.3900    -0.0000    -0.0000	C.2	1	noname	-0.0102
7	C4    -0.0000     2.4076    -0.0000	C.2	1	noname	-0.0448
8	C5     2.0850     1.2038     0.0000	C.2	1	noname	-0.0448
9	C6     1.3900     2.4076    -0.0000	C.2	1	noname	-0.0398
10	H1    -0.5141    -3.3229     1.1860	H	1	noname	0.2216
11	H2    -1.7850     1.2038     0.0000	H	1	noname	0.0631
12	H3     1.9350    -0.9440    -0.0000	H	1	noname	0.0631
13	H4    -0.5450     3.3515    -0.0000	H	1	noname	0.0622
14	H5     3.1750     1.2038     0.0000	H	1	noname	0.0622
15	H6     1.9350     3.3515    -0.0000	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	1	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	2
9	8	9	1
10	3	10	1
11	5	11	1
12	6	12	1
13	7	13	1
14	8	14	1
15	9	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
