@<TRIPOS>MOLECULE
DB02039
19 18 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.7996     0.2704    -0.1160	S.3	1	noname	-0.0310
2	C1     2.5614    -1.2819    -0.0608	C.2	1	noname	0.1270
3	C2     0.0169     0.0694     0.0311	C.3	1	noname	0.0256
4	O1     3.8053    -1.3711    -0.1469	O.2	1	noname	-0.2842
5	C3     1.7515    -2.4877     0.0863	C.3	1	noname	0.0049
6	C4    -0.6568     1.4422    -0.0177	C.3	1	noname	0.1008
7	N1    -2.1048     1.2789     0.1017	N.3	1	noname	-0.3187
8	C5    -0.3435     2.0933    -1.2864	C.2	1	noname	0.1441
9	O2     0.2579     3.1891    -1.2947	O.2	1	noname	-0.2493
10	O3    -0.7032     1.5119    -2.4504	O.3	1	noname	-0.2138
11	H1    -0.3652    -0.4415    -0.8527	H	1	noname	0.0406
12	H2    -0.2256    -0.3062     1.0252	H	1	noname	0.0406
13	H3     1.6077    -2.7019     1.1453	H	1	noname	0.0319
14	H4     0.7823    -2.3346    -0.3884	H	1	noname	0.0319
15	H5     2.2599    -3.3270    -0.3884	H	1	noname	0.0319
16	H6    -0.3187     2.0915     0.7898	H	1	noname	0.0580
17	H7    -2.7029     2.0917     0.1429	H	1	noname	0.1192
18	H8    -2.5069     0.3534     0.1429	H	1	noname	0.1192
19	H9    -0.6734     0.5572    -2.3539	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	6	7	1
7	6	8	1
8	8	9	2
9	8	10	1
10	3	11	1
11	3	12	1
12	5	13	1
13	5	14	1
14	5	15	1
15	6	16	1
16	7	17	1
17	7	18	1
18	10	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1