IFLAB-ZINC02457533 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 0.4140 1.0720 1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -0.4560 1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -0.9470 3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -0.9120 1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -1.7270 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5600 -2.1460 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -1.7490 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3840 -0.9310 2.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 -0.5200 2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9180 -2.1720 0.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8780 -1.6380 1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3030 -1.9700 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3930 -3.4200 1.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3800 -4.0510 0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9920 -3.6370 0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3770 -4.1500 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1420 -3.6340 2.4050 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5260 -5.5820 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8710 -6.5070 2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0100 -7.8390 1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8060 -8.2640 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4610 -7.3380 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3280 -6.0050 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9540 -9.6940 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2540 -10.4990 1.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 1.4020 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 1.4220 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 1.4820 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0450 -0.8660 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -0.5380 4.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -2.0360 3.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 -0.6170 3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -2.0340 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7390 -2.7820 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -0.6210 2.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 0.1120 3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6940 -2.0880 2.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 -0.5560 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0120 -1.6790 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5260 -1.4370 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4800 -5.1360 0.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5140 -3.7180 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -4.0050 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -4.0590 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0280 -6.1780 3.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2760 -8.5550 2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3030 -7.6660 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0660 -5.2880 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7580 -10.1030 -0.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8660 -11.0480 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 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 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 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 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 49 50 1 0 0 0 0 M END