@<TRIPOS>MOLECULE
DB06823
19 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.6515    -2.4985    -0.5918	S.3	1	noname	-0.1675
2	C1     1.3035    -1.3101     0.7146	C.3	1	noname	0.0629
3	C2     1.0780    -0.0208     0.1384	C.2	1	noname	0.0268
4	C3     2.4957    -1.2398     1.6710	C.3	1	noname	-0.0459
5	O1     2.0257     0.5581    -0.5752	O.3	1	noname	-0.2617
6	N1    -0.0384     0.5695     0.3140	N.2	1	noname	-0.2198
7	C4    -0.2552     1.8092    -0.2400	C.3	1	noname	0.1272
8	C5    -1.5983     2.2673     0.1030	C.2	1	noname	0.1461
9	O2    -2.0022     3.3785    -0.3027	O.2	1	noname	-0.2479
10	O3    -2.4040     1.4909     0.8583	O.3	1	noname	-0.2127
11	H1     1.5250    -3.7237    -0.1171	H	1	noname	0.1029
12	H2     0.4174    -1.4253     1.3388	H	1	noname	0.0499
13	H3     2.1375    -1.2609     2.7002	H	1	noname	0.0246
14	H4     3.1517    -2.0927     1.4970	H	1	noname	0.0246
15	H5     3.0471    -0.3158     1.4970	H	1	noname	0.0246
16	H6     2.6730     0.9535     0.0132	H	1	noname	0.2195
17	H7     0.4582     2.4773     0.2425	H	1	noname	0.0624
18	H8    -0.2191     1.6609    -1.3193	H	1	noname	0.0624
19	H9    -2.2303     1.6583     1.7875	H	1	noname	0.2213
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	2
6	6	7	1
7	7	8	1
8	8	9	2
9	8	10	1
10	1	11	1
11	2	12	1
12	4	13	1
13	4	14	1
14	4	15	1
15	5	16	1
16	7	17	1
17	7	18	1
18	10	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1