@<TRIPOS>MOLECULE
DB02238
17 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.1300    -1.6971     0.0000	S.3	1	noname	-0.1648
2	C1     1.5300     0.0000     0.0000	C.3	1	noname	0.0005
3	C2     3.9300    -1.6971     0.0000	C.3	1	noname	-0.0184
4	C3     0.0000     0.0000     0.0000	C.3	1	noname	0.0256
5	C4    -0.4867     1.3765     0.0000	C.2	1	noname	0.2118
6	O1    -1.7156     1.6049     0.0000	O.2	1	noname	-0.2581
7	C5     0.4166     2.4330     0.0000	C.2	1	noname	0.1656
8	O2    -0.0001     3.6115     0.0000	O.2	1	noname	-0.2344
9	O3     1.7439     2.1863     0.0000	O.3	1	noname	-0.2014
10	H1     1.7919     0.4779     0.9440	H	1	noname	0.0384
11	H2     1.7919     0.4779    -0.9440	H	1	noname	0.0384
12	H3     4.2933    -1.6971     1.0277	H	1	noname	0.0343
13	H4     4.2933    -2.5870    -0.5138	H	1	noname	0.0343
14	H5     4.2933    -0.8071    -0.5138	H	1	noname	0.0343
15	H6    -0.3292    -0.4343    -0.9440	H	1	noname	0.0360
16	H7    -0.3292    -0.4343     0.9440	H	1	noname	0.0360
17	H8     2.0585     2.1279     0.9051	H	1	noname	0.2217
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	4	5	1
5	5	6	2
6	5	7	1
7	7	8	2
8	7	9	1
9	2	10	1
10	2	11	1
11	3	12	1
12	3	13	1
13	3	14	1
14	4	15	1
15	4	16	1
16	9	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1