D09OTF
Wcorina 11010620233D 1 1.00000 0.00000 0
CORINA evaluation license 3.40 0067 02.08.2006
20 21 0 0 0 999 V2000
-0.0168 1.3864 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0021 -0.0041 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1834 2.0920 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2941 -0.7262 -0.0137 N 0 3 0 0 0 0 0 0 0 0 0 0
-1.2379 2.0625 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2768 3.4541 0.0392 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1751 3.4404 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1296 4.1627 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1833 -0.7112 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3964 -0.0396 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4262 1.3403 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8353 -1.0290 1.0346 O 0 5 0 0 0 0 0 0 0 0 0 0
1.8160 -1.0177 -1.0749 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2196 4.0604 0.0037 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1585 5.3770 0.0334 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1529 -2.6019 -0.0015 Br 0 0 0 0 0 0 0 0 0 0 0 0
-4.0147 -1.0176 0.0428 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.0268 1.6129 -0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1303 3.9147 0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3730 1.8593 0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 5 2 0 0 0 0
2 4 1 0 0 0 0
2 9 2 0 0 0 0
3 7 1 0 0 0 0
3 18 1 0 0 0 0
4 12 1 0 0 0 0
4 13 2 0 0 0 0
5 6 1 0 0 0 0
5 11 1 0 0 0 0
6 8 1 0 0 0 0
6 19 1 0 0 0 0
7 14 2 0 0 0 0
7 8 1 0 0 0 0
8 15 2 0 0 0 0
9 16 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
10 17 1 0 0 0 0
11 20 1 0 0 0 0
M CHG 2 4 1 12 -1
M END
$$$$