IBS-ZINC02095432 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 66 0 0 1 0 0 0 0 0999 V2000 -0.5740 -1.6210 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -0.8370 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 0.3850 0.0830 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0770 0.9870 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1700 1.2220 -0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -0.0760 1.5200 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4200 -0.7110 1.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -0.8530 1.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -0.3180 1.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -2.1400 1.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7690 -2.7500 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6480 -2.4910 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8700 -3.0980 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2420 -3.9840 1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5540 -4.6530 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8550 -5.5180 2.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9140 -5.7270 3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1880 -6.4910 4.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7230 -5.1090 3.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3610 -4.2510 2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1200 -3.6300 2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5190 -4.4070 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7380 -3.7830 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6330 -3.5560 -0.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3250 -3.9470 -2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1180 -4.5670 -2.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2110 -4.7930 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 1.0940 2.3970 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 1.3280 3.5900 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 2.5420 4.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 0.0890 4.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 1.6170 2.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 2.9100 2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 3.1360 1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 2.0700 1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 0.7760 1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 0.5500 2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 2.3160 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -2.5100 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -0.9940 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -1.9170 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -0.5110 -1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6970 -1.4760 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 0.6200 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 2.0930 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 1.5500 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3610 -1.8060 -0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5480 -2.8930 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8060 -6.0280 2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4320 -3.8300 2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9800 -3.4780 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5770 -3.0730 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0290 -3.7670 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8840 -4.8700 -3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2680 -5.2720 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 1.7300 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 3.7430 2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 4.1470 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -0.0570 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 -0.4600 2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 2.4200 1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3210 1.4770 0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0270 3.2310 0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 42 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 21 2 0 0 0 0 12 13 2 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 49 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 20 21 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 29 30 2 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 37 60 1 0 0 0 0 38 61 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 M END