m581-1.mol corina 12080917093D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 27 31 0 0 0 0 0 0 0 0999 V2000 -0.0168 1.3868 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 1.2345 -0.6604 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3959 0.1282 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 1.5311 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1564 2.1440 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6617 -0.4739 -0.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 0.2142 -0.4900 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8144 1.6656 -0.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 2.2918 0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3769 -2.1224 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6648 -2.7046 -0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8471 -1.8399 -0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2553 -2.9471 0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4056 -4.3170 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6770 -4.8913 0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7966 -4.0933 -0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2471 -2.0415 -0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8558 -0.6697 -0.4917 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0381 -0.4162 -0.5866 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8361 -3.1046 -0.3382 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2141 2.0286 0.0188 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -0.7121 0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7582 -1.0436 -1.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8112 -6.2436 0.0662 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6899 -5.1148 0.2386 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9596 -4.4649 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 5 10 1 0 0 0 0 3 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 7 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 8 19 1 0 0 0 0 19 20 2 0 0 0 0 18 21 2 0 0 0 0 1 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 15 26 1 0 0 0 0 26 27 1 0 0 0 0 M END $$$$