@<TRIPOS>MOLECULE
DB02969
18 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.3389    -0.1281     0.0603	S.3	1	noname	-0.2155
2	C1     2.0471     0.2176    -0.2249	C.2	1	noname	0.0347
3	C2    -0.3770     1.4790     0.2642	C.2	1	noname	0.0539
4	C3     1.9578     1.6148    -0.1419	C.2	1	noname	0.0269
5	C4     3.1841    -0.6653    -0.4684	C.3	1	noname	0.0527
6	N1     0.7501     2.2154     0.1004	N.2	1	noname	-0.2202
7	C5     3.1553     2.4320    -0.3143	C.3	1	noname	0.0378
8	C6     3.3638    -1.6062     0.7246	C.3	1	noname	0.0481
9	O1     4.4697    -2.4649     0.4879	O.3	1	noname	-0.3959
10	H1    -1.3470     1.9371     0.4576	H	1	noname	0.0958
11	H2     2.9115    -1.2746    -1.3301	H	1	noname	0.0348
12	H3     4.0610    -0.0194    -0.5132	H	1	noname	0.0348
13	H4     3.5535     2.7038     0.6633	H	1	noname	0.0296
14	H5     3.9049     1.8661    -0.8674	H	1	noname	0.0296
15	H6     2.9016     3.3363    -0.8674	H	1	noname	0.0296
16	H7     3.6426    -1.0049     1.5900	H	1	noname	0.0567
17	H8     2.4931    -2.2601     0.7731	H	1	noname	0.0567
18	H9     4.8381    -2.7510     1.3269	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	4	7	1
7	4	6	1
8	5	8	1
9	8	9	1
10	3	10	1
11	5	11	1
12	5	12	1
13	7	13	1
14	7	14	1
15	7	15	1
16	8	16	1
17	8	17	1
18	9	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1