IBS-ZINC02098436 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 66 0 0 1 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 0.0240 -0.7690 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.1160 2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.8640 3.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -0.5390 5.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -1.7070 5.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.7260 4.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -2.2740 3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -2.9150 2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.1780 1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.8110 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.1090 -1.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7130 -2.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.7000 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 0.0300 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 0.1840 -3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -0.2560 -2.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5930 0.8110 -4.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 0.9600 -4.6790 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5450 0.0810 -4.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 1.1050 -6.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 -0.1710 -6.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -0.3340 -7.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -1.5040 -7.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -2.5110 -7.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -2.3470 -7.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 -1.1740 -7.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -3.9810 -8.6540 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 2.1870 -4.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 2.8670 -3.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -4.4210 2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -1.8120 7.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -0.4540 7.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 0.6510 7.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 0.8200 5.7290 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 0.0150 0.9630 2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -0.5380 -3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 1.0150 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8460 1.1620 -4.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 1.9310 -6.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 1.3050 -6.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 0.4520 -6.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -1.6320 -7.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -3.1330 -7.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -1.0440 -7.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -4.7970 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -4.7410 1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 -4.8130 3.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -2.0750 7.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -2.5740 7.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -0.4590 8.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -0.2700 7.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 0.3780 7.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 1.5880 7.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 1.2680 5.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 1.4570 5.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 2.5250 -4.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2080 3.3200 -3.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 11 2 0 0 0 0 4 5 2 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 34 35 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 35 36 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 61 62 1 0 0 0 0 M END