@<TRIPOS>MOLECULE
DB04687
14 13 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.6221     0.3872     0.0972	S.2	1	noname	-0.0066
2	P1    -0.2377    -0.0383    -0.1181	P	1	noname	-0.0468
3	O1    -0.4150    -0.9635    -1.3363	O.3	1	noname	-0.1953
4	O2    -1.0390     1.2584    -0.3374	O.3	1	noname	-0.1953
5	O3    -0.7510    -0.7511     1.1469	O.3	1	noname	-0.2035
6	C1    -1.7905    -1.2782    -1.4955	C.3	1	noname	0.0492
7	C2    -0.8755     2.1116     0.7859	C.3	1	noname	0.0492
8	H1    -0.7001    -1.7015     1.0215	H	1	noname	0.2259
9	H2    -2.2548    -1.3845    -0.5151	H	1	noname	0.0539
10	H3    -2.2848    -0.4784    -2.0468	H	1	noname	0.0539
11	H4    -1.8878    -2.2135    -2.0468	H	1	noname	0.0539
12	H5    -0.7448     1.5083     1.6843	H	1	noname	0.0539
13	H6     0.0025     2.7406     0.6397	H	1	noname	0.0539
14	H7    -1.7589     2.7406     0.8960	H	1	noname	0.0539
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	4	7	1
7	5	8	1
8	6	9	1
9	6	10	1
10	6	11	1
11	7	12	1
12	7	13	1
13	7	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1