IBS-ZINC04857167 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 53 0 0 1 0 0 0 0 0999 V2000 -0.0200 1.5030 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.0040 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -0.7130 0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -2.0950 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -2.0600 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -0.6780 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2000 -4.6690 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -4.7760 -0.4530 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3300 -5.8560 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -4.7510 -2.0280 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2090 -3.7530 -2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 -5.4730 -2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7560 -6.2630 -3.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -5.0540 -1.3400 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -4.4420 -0.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -3.7670 0.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7970 -5.2240 -1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6160 -4.7690 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9840 -4.9370 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5390 -5.5580 -1.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7270 -6.0110 -2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3570 -5.8510 -2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -6.6740 -3.7890 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5320 -6.8200 -3.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 -7.0740 -4.6900 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5790 -3.7190 -1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -4.3490 -3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -5.2010 -3.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 1.8690 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 1.8780 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 1.8510 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -0.1870 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 -2.6490 1.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 -2.5860 -1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -0.1240 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1830 -4.2840 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6210 -4.5840 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6090 -5.6880 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7220 -6.2090 -3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -2.8400 -1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 -3.4660 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -4.9730 -3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -3.5760 -3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -6.1460 -3.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -4.6600 -4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -5.4660 -2.1040 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -4.8110 -1.0660 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 49 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END