IFLAB-ZINC04139676 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.5030 2.4090 -0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 0.9730 -0.3650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0530 0.9620 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.1070 -1.2370 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2360 -1.0660 -1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1880 -0.2950 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -1.2620 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -1.1550 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6260 -0.1150 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4580 0.7250 -1.3310 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 0.4900 -3.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 0.7050 -4.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -0.4490 -5.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -0.7510 -5.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -1.0600 -3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 0.6280 1.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 -0.4480 1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -1.1610 0.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -0.5890 2.9010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -1.5920 3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -2.6230 3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -3.5820 4.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -3.5220 5.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.4970 5.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 -1.5360 5.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -2.4130 7.6350 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 2.5600 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 2.7020 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 3.1050 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -2.0150 0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6510 -1.8090 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 0.1920 -0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 1.4090 -2.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -0.3490 -2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 0.8930 -5.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 1.5750 -5.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 -1.6260 -5.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 0.0840 -5.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -1.9040 -3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -1.2680 -3.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 1.1880 1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 0.1020 3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 -2.7100 2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1490 -4.3770 3.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 -4.2700 6.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -0.7470 5.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6420 0.1500 -2.7580 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2650 0.9410 -2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 47 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 30 1 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END