IBS-ZINC05322614 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4650 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8040 -0.5240 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7650 -2.0570 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 -2.5010 1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.6930 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 -0.5210 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 0.1880 -0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -0.2750 -0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 -1.4480 -0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9550 -2.1530 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -1.9490 -0.2550 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.1310 -1.3260 -0.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6030 -2.9820 0.3100 O 0 5 0 0 0 0 0 0 0 0 0 0 1.7330 -2.6200 2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -1.8750 2.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 -2.5380 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -1.7400 -1.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8420 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 1.8270 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 1.8160 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -0.1820 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -0.1740 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -3.5580 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -2.3480 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 1.1050 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2940 0.2790 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 -3.0690 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -3.9490 2.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -3.8530 -0.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -4.1140 -1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -4.2620 2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END