IFLAB-ZINC05143492 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 -0.1360 -1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 -0.5800 -2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -1.3820 -3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -1.7360 -3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -1.2940 -2.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6580 -1.8330 -4.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -2.6340 -5.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 -2.8390 -6.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 -3.6220 -7.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 -4.1450 -7.8390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -3.9280 -6.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -3.1880 -5.8330 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -4.5300 -7.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 -5.3110 -8.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 -5.8700 -8.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -5.6560 -7.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9030 -4.8790 -6.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -4.3220 -6.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 -6.2080 -7.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 -5.9480 -6.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 -3.8680 -8.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9460 -3.3860 -8.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 -4.6270 -9.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -2.1550 -6.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0840 -2.1110 -6.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 -1.5560 -5.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6960 -0.8690 -4.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 0.4880 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -0.3020 -2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -2.3600 -3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -1.5730 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -5.4770 -8.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -6.4750 -9.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 -4.7140 -5.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 -3.7220 -5.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3100 -6.4460 -6.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9960 -6.3260 -5.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5390 -4.8740 -6.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -5.0130 -9.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -4.7880 -10.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 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 42 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 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 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 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 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 M END