@<TRIPOS>MOLECULE
DB02216
17 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.8437    -2.1470    -1.1544	S.3	1	noname	-0.1631
2	C1     0.5193    -0.9724    -1.1030	C.3	1	noname	0.0179
3	C2    -0.5467    -3.3540    -2.4563	C.3	1	noname	-0.0183
4	C3     0.2669     0.0536     0.0036	C.3	1	noname	0.1004
5	N1    -0.9805     0.7662    -0.2678	N.3	1	noname	-0.3187
6	C4     1.3724     1.0063     0.0453	C.2	1	noname	0.1441
7	O1     2.0563     1.1250     1.0849	O.2	1	noname	-0.2494
8	O2     1.6561     1.7591    -1.0389	O.3	1	noname	-0.2138
9	H1     1.4276    -1.4836    -0.7839	H	1	noname	0.0401
10	H2     0.5209    -0.3775    -2.0163	H	1	noname	0.0401
11	H3    -0.6400    -4.3600    -2.0472	H	1	noname	0.0343
12	H4    -1.2778    -3.2165    -3.2529	H	1	noname	0.0343
13	H5     0.4576    -3.2165    -2.8571	H	1	noname	0.0343
14	H6     0.1858    -0.4155     0.9841	H	1	noname	0.0580
15	H7    -0.9775     1.7718    -0.3616	H	1	noname	0.1192
16	H8    -1.8453     0.2528    -0.3616	H	1	noname	0.1192
17	H9     1.8510     1.1862    -1.7841	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	2
7	6	8	1
8	2	9	1
9	2	10	1
10	3	11	1
11	3	12	1
12	3	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	8	17	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1