IBS-ZINC04089614 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 62 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7890 -2.4840 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 -2.5900 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -3.2130 -0.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -2.4260 -1.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -3.6310 -1.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -4.4100 -0.6820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -4.0100 -2.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -3.9910 -3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -5.4180 -2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -5.8020 -4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 -4.8070 -4.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 -4.8260 -3.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -3.3990 -4.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 -3.0140 -3.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -5.1920 -6.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 -4.3120 -6.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 -4.4660 -7.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -5.3340 -8.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0030 -3.5610 -7.8660 C 0 0 3 0 0 0 0 0 0 0 0 0 6.6050 -3.3880 -6.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4690 -2.2250 -8.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 -1.2630 -8.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0020 0.3210 -9.2340 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5070 1.3110 -9.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 -1.8040 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -5.4360 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -6.1270 -2.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -6.8050 -4.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -5.7830 -4.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -2.6900 -5.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -3.3800 -5.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -2.0120 -3.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -3.0330 -2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 -6.2260 -6.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -5.0870 -6.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -3.6180 -5.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9420 -2.3870 -9.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 -1.7980 -7.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1620 -1.1010 -7.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3220 -1.6900 -9.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0120 1.4080 -8.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1710 0.8200 -10.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2430 2.3000 -9.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -5.0460 -8.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 -2.3720 1.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8330 -4.1930 -8.9010 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 -4.3640 -9.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -2.7330 1.1780 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 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 59 1 0 0 0 0 9 10 1 0 0 0 0 9 39 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 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 60 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 58 60 1 0 0 0 0 59 62 1 0 0 0 0 60 61 1 0 0 0 0 M END