corina 12080917183D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 27 29 0 0 0 0 0 0 0 0999 V2000 -0.0169 1.3921 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 -1.1849 -0.7068 0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3924 -0.0313 0.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4184 1.3521 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2388 2.0673 0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4805 7.1145 -0.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 6.4300 -0.8291 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1369 7.2317 -1.4952 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8401 7.3377 -2.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7337 8.1621 -3.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 7.4349 -2.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 5.1458 -1.4512 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9497 4.4257 -1.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5114 4.1783 0.0005 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3831 5.5226 0.7237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 6.2638 0.6411 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7268 5.5109 1.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2286 3.4982 0.0091 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2503 2.1513 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3119 1.5611 -0.0116 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1668 -2.1869 0.0019 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2141 -2.8087 0.0086 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1047 -2.7829 -0.0114 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7149 2.0662 0.0477 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7572 1.4360 0.0539 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7394 3.2839 0.0541 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 13 14 1 0 0 0 0 3 4 2 0 0 0 0 14 15 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 8 17 1 0 0 0 0 8 9 1 0 0 0 0 17 18 1 0 0 0 0 16 15 1 0 0 0 0 4 5 1 0 0 0 0 15 19 1 0 0 0 0 7 10 1 0 0 0 0 19 20 1 0 0 0 0 2 3 1 0 0 0 0 20 21 2 0 0 0 0 20 1 1 0 0 0 0 3 22 1 0 0 0 0 5 25 1 0 0 0 0 10 11 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 12 9 1 0 0 0 0 6 1 1 0 0 0 0 8 13 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 G 22 3 NO2 G 25 5 NO2 M CHG 4 22 1 23 -1 25 1 26 -1 M STY 2 1 SUP 2 SUP M SLB 2 1 1 2 2 M SAL 1 3 22 23 24 M SBL 1 1 18 M SMT 1 NO2 M SBV 1 18 -0.7200 0.4100 M SAL 2 3 25 26 27 M SBL 2 1 19 M SMT 2 NO2 M SBV 2 19 0.0000 -0.8300 M END $$$$