IBS-ZINC02211256 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.9440 -2.7370 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -2.0490 -3.7100 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -4.2200 -2.4720 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -3.2260 -3.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -2.3650 -3.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7920 -3.0230 -4.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 -2.4470 -4.7080 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 -1.2640 -5.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5930 -0.6410 -6.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3740 0.5600 -6.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1320 1.1880 -6.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 0.6170 -5.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -0.6260 -5.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -1.1960 -4.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6810 -4.2030 -3.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -4.3080 -2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -5.3710 -2.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 -5.1900 -3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6950 -6.2110 -4.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8100 -7.2420 -4.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1700 -6.5530 -4.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6810 -8.3320 -5.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.8480 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5610 -1.1150 -6.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 1.0340 -7.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 2.1420 -7.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 1.1150 -5.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -5.3740 -1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -6.1130 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6150 -5.7020 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7150 -4.6860 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 -5.6990 -5.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 -6.7150 -4.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7290 -7.6900 -3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2510 -6.1040 -5.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9640 -7.2870 -4.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2620 -5.7760 -3.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -8.8220 -5.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4750 -9.0660 -5.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 -7.8830 -6.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 2 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M END