corina 12080917083D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 25 27 0 0 0 0 0 0 0 0999 V2000 -0.0266 1.4646 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0195 -0.0121 0.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 -0.6409 0.2374 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3226 0.0423 0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3927 1.3804 0.2621 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2837 2.1437 0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 7.4443 3.5179 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4008 8.9113 3.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6987 9.0932 2.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4281 7.8316 3.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5963 6.8437 3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0514 6.6177 2.1995 Fe 0 0 0 0 0 0 0 0 0 0 0 0 -0.8928 5.7912 0.8812 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7028 4.3243 1.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1883 3.6376 0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6982 4.5739 -0.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5432 5.8260 -0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2047 2.1779 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3607 3.3573 0.1503 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0581 -0.6435 0.1035 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 -0.8426 0.4015 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7045 2.0294 0.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2052 -2.1050 0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0739 2.2905 1.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3039 -2.6499 -1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 16 17 2 0 0 0 0 8 9 2 0 0 0 0 14 15 2 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 17 13 1 0 0 0 0 2 3 1 0 0 0 0 15 18 1 0 0 0 0 18 1 2 0 0 0 0 3 4 1 0 0 0 0 6 19 2 0 0 0 0 7 8 1 0 0 0 0 2 20 2 0 0 0 0 9 10 1 0 0 0 0 4 21 2 0 0 0 0 10 11 2 0 0 0 0 5 22 1 0 0 0 0 11 7 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 22 24 1 0 0 0 0 7 12 1 0 0 0 0 23 25 1 0 0 0 0 M END $$$$