IBS-ZINC02225308 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 0 0 0 0 0999 V2000 -0.2740 1.4410 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -0.0900 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -0.6980 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -0.5950 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -0.4780 -1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -1.9300 -1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -2.2800 -2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -1.2260 -3.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 0.1170 -3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 0.4730 -2.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 0.8730 -4.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2990 -0.0690 -4.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 -1.3260 -4.5790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 2.3240 -4.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 2.9770 -4.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 4.3740 -4.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 5.1240 -4.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 4.4910 -3.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5890 3.0950 -3.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 6.8430 -4.1620 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 -3.6280 -3.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -4.7110 -2.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -5.8490 -2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -5.2260 -4.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -4.0760 -4.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -7.5580 -4.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -8.4160 -5.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -8.3610 -4.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -9.0200 -5.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 1.8590 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 1.9310 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 1.7220 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -0.3700 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -1.7920 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4220 -0.4010 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 -0.2230 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -1.6890 -0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -0.2640 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -2.6530 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9560 0.1100 -5.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 2.4130 -4.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 4.8640 -4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 5.0690 -3.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 2.6180 -3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -5.0940 -2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -4.3520 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -6.6920 -1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -5.5160 -2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -4.8860 -4.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -5.6370 -5.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -3.2750 -5.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 -4.3980 -4.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -7.2280 -4.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -8.1180 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -9.4520 -5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -8.0220 -6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0590 -6.3520 -3.7960 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0120 -6.7490 -3.9440 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 5 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 36 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 10 2 0 0 0 0 6 7 2 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 12 40 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 57 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END