IBS-ZINC00703019 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 59 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.1970 -0.6910 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0090 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4160 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 1.8370 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 0.7100 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 -0.3770 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9090 0.6820 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 1.7200 -0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 -0.6390 -0.0630 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9070 -1.1080 1.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 -1.1970 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9640 -1.5440 2.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.8430 0.3520 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0330 -0.4770 -0.6830 C 0 0 3 0 0 0 0 0 0 0 0 0 8.1880 0.5580 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1780 -1.3920 -1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0280 -0.9000 -3.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1700 -1.7790 -4.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4550 -3.1070 -3.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5920 -3.5400 -2.7260 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4690 -2.7310 -1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4530 -0.8250 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9190 -2.1890 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8320 -3.3740 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3440 -3.2860 -1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9990 -3.1220 -0.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5790 -1.9590 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0690 -2.0330 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0860 -1.3610 2.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.7710 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 3.1730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0850 2.8560 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8050 0.1420 -3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 -1.4310 -5.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5680 -3.7980 -4.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5920 -3.1210 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7180 -0.0550 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9380 -0.6100 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6550 -2.9590 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4350 -2.4050 -1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3260 -3.4430 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6040 -4.2580 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6960 -4.2020 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5690 -2.4330 -2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1000 -1.9140 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8100 -1.0670 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8440 -2.8950 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7360 -1.1230 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0600 -1.3840 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3760 -2.1710 -0.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 54 1 0 0 0 0 13 14 1 0 0 0 0 13 32 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 55 1 0 0 0 0 M END