IBS-ZINC02232775 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 63 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1370 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4900 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -1.8700 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -2.6300 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0080 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.7540 0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -4.1740 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -2.5480 4.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -2.7980 5.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -3.4570 6.5610 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -2.7730 7.6840 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7210 -2.1440 7.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 -3.8530 8.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1290 -4.1720 9.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 -5.5350 9.7670 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 -6.0480 10.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 -6.0380 8.7440 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 -5.0830 7.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -4.7850 6.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 -5.6230 5.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 -3.2260 10.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -3.1540 10.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5990 -2.2700 11.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 -1.4530 12.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 -1.5150 12.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -2.3940 11.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -2.4510 11.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -1.9370 8.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 -0.6850 8.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 0.0820 9.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.4010 9.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -1.6530 9.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -2.4190 8.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -2.2610 9.6200 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.2150 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1000 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -3.7080 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -4.4700 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 -4.4890 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -4.6480 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -3.4980 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -1.9090 4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -1.8470 5.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -3.4370 5.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7330 -3.7910 10.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6670 -2.2160 11.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 -0.7640 13.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 -0.8750 12.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -3.0870 11.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2560 -0.3070 8.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 1.0600 9.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 0.1980 10.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -3.3950 8.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 31 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 34 35 2 0 0 0 0 34 58 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 36 59 1 0 0 0 0 M END