@<TRIPOS>MOLECULE
DB02987
21 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.7075    -0.0249     0.0874	S.3	1	noname	-0.1503
2	C1     2.3076    -1.7086     0.2998	C.3	1	noname	0.0671
3	C2    -0.0923    -0.0220     0.1103	C.3	1	noname	0.0186
4	C3     3.7675    -1.7109     0.2813	C.2	1	noname	0.0375
5	C4    -0.6024     1.4091    -0.0702	C.3	1	noname	0.1004
6	O1     4.3805    -2.3701    -0.5860	O.2	1	noname	-0.2951
7	N1     4.4503    -1.0063     1.1940	N.3	1	noname	-0.0877
8	N2    -2.0643     1.4114    -0.0516	N.3	1	noname	-0.3187
9	C5    -0.1311     1.9362    -1.3476	C.2	1	noname	0.1441
10	O2     0.5889     2.9577    -1.3747	O.2	1	noname	-0.2494
11	O3    -0.4728     1.3205    -2.4993	O.3	1	noname	-0.2138
12	H1     2.0734    -2.0679     1.3019	H	1	noname	0.0476
13	H2     2.0492    -2.3126    -0.5700	H	1	noname	0.0476
14	H3    -0.4676    -0.5466    -0.7683	H	1	noname	0.0402
15	H4    -0.4435    -0.3019     1.1035	H	1	noname	0.0402
16	H5    -0.2498     2.0707     0.7210	H	1	noname	0.0580
17	H6     5.3357    -1.3495     1.5379	H	1	noname	0.1271
18	H7     4.0794    -0.1321     1.5379	H	1	noname	0.1271
19	H8    -2.5678     2.2869    -0.0452	H	1	noname	0.1192
20	H9    -2.5706     0.5375    -0.0452	H	1	noname	0.1192
21	H10    -0.4364     0.3691    -2.3765	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	5	8	1
8	5	9	1
9	9	10	2
10	9	11	1
11	2	12	1
12	2	13	1
13	3	14	1
14	3	15	1
15	5	16	1
16	7	17	1
17	7	18	1
18	8	19	1
19	8	20	1
20	11	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1