IFLAB-ZINC04139220 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 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 3 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -0.1370 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -0.9320 -2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -0.3480 -3.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3300 0.9210 -3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 1.4420 -1.5920 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 -0.4520 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2760 0.2110 2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 -0.0590 3.5830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 0.4030 3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -0.2580 2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -0.5870 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -0.2950 -0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -1.0690 -2.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 -1.3610 -3.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -1.1790 -2.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7590 -1.6520 -3.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2460 -1.6840 -3.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 -2.8260 -2.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2010 -2.8560 -2.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9720 -1.7420 -2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3800 -0.5990 -3.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0170 -0.5720 -3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6840 -1.7790 -2.6740 Cl 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 -1.9540 -1.9540 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -0.8800 -4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8540 1.5340 -3.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5440 -1.5330 1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -0.2010 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 1.2880 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 -0.1900 2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 1.4850 3.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7360 0.1400 4.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 0.1340 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.3360 2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.7100 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 -0.9460 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 -2.6550 -3.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 -0.9780 -4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2350 -3.6960 -2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6630 -3.7490 -2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9820 0.2710 -3.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5550 0.3190 -4.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 0.0360 1.1570 N 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 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 52 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 11 52 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 M END