IBS-ZINC05033420 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.5810 1.8310 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 0.3700 1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -0.4860 1.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -1.8260 1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -2.7130 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -4.0740 1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -4.5540 1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -3.6650 2.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -2.3050 2.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -5.9340 1.9310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2300 -6.7920 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -6.2820 -0.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -7.0760 -0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -8.4560 -0.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -8.9530 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -8.0990 1.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -10.3210 0.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -10.8150 1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -10.0170 2.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -10.5070 3.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -11.7910 3.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -12.5900 2.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -12.1080 1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -12.8910 0.5770 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -9.3720 -1.8110 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7990 -9.7310 -2.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -9.7680 -1.6680 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6470 -6.5350 -2.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 2.0320 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 2.4830 2.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 2.0170 0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 0.1680 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 0.1840 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -2.3390 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -4.7640 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -4.0380 2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -1.6130 2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -6.2900 2.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -10.9360 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -9.0130 2.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -9.8860 4.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -12.1710 4.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 -13.5920 2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -5.5720 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -7.1190 -2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END