IFLAB-ZINC04086932 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 0 0 0 0 0 0999 V2000 0.4210 1.2550 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -0.2560 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -0.6630 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 -2.2640 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -2.6500 2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -1.9560 3.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -0.8560 3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -0.2380 5.2310 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -1.3950 5.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 -2.2650 5.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 -3.3170 5.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 -3.5120 6.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -4.0250 4.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 -5.0510 4.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -1.4340 7.3300 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.5920 8.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 0.3540 8.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 -0.9960 9.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -0.1070 10.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -0.5500 12.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -0.0380 12.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -0.4870 13.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -1.4530 14.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 -1.9690 14.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -1.5210 12.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -0.2560 2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 1.5410 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 1.5920 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 1.8030 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -0.7300 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -0.3810 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 -1.7440 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -0.1670 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -2.5770 0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.7160 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -3.7370 2.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 -2.3830 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 -5.5470 3.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -4.6170 5.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -5.7930 5.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 -2.1830 7.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -2.0410 9.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -0.9530 9.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 0.9410 10.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -0.1320 10.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 0.7070 12.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -0.0870 14.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8930 -1.8060 15.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 -2.7230 14.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -1.9400 12.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -0.5540 2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1930 0.8340 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -0.7490 1.2020 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7570 -0.3490 1.2520 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 30 1 0 0 0 0 2 53 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 53 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 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 26 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 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 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 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 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END