m579-1.mol corina 12080917093D 1 1.00000 0.00000 CORINA 3.46 0026 05.08.2008 29 31 0 0 0 0 0 0 0 0999 V2000 -0.0231 1.3230 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0026 -0.0028 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2724 -0.7945 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4755 0.0038 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4789 1.3357 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2454 2.0735 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2766 3.2599 0.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4779 -1.3629 1.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9951 -2.8238 1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5611 -2.9512 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1518 -1.9670 -0.8129 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1848 -3.7909 -0.5564 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0907 -3.7527 1.6232 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6388 2.0297 -0.7505 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6154 2.8759 -1.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 3.1019 -2.3731 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8871 3.5411 -2.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7793 -5.1896 2.3852 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0238 -5.8680 2.4865 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9692 -4.8795 3.5107 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7765 -6.1490 1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3672 -6.9988 0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5805 -7.7515 -0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7969 -7.6548 -0.4035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3876 -6.8057 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 -6.0562 1.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6393 -8.4601 -1.3162 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1187 -9.2079 -2.1244 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 -8.3748 -1.2589 O 0 5 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 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 2 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 3 11 1 0 0 0 0 10 12 2 0 0 0 0 9 13 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 21 26 1 0 0 0 0 24 27 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 M CHG 2 27 1 29 -1 M END $$$$