IFLAB-ZINC04139236 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 0.7660 2.0860 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 0.7140 -0.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9040 0.8160 -0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6650 -0.3910 -1.1540 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4030 -0.0300 -2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -0.5770 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 -0.3120 -2.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 -0.5940 -1.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 -1.0690 -0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0320 -1.1740 0.2150 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -2.9030 -1.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -4.1360 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -3.9180 -1.9710 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -2.8430 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -1.5370 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 0.4510 1.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -0.6880 1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -1.6900 1.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -0.6480 3.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 0.3160 3.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 -1.7340 4.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -1.8650 5.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 -2.4910 6.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -3.8640 6.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -4.4830 7.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -3.7440 7.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3550 -2.3830 7.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 -1.7610 6.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -0.0750 6.1880 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 2.1250 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 2.3360 -1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 2.8690 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 0.0740 -3.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 -0.4540 -2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 -1.3590 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -3.0870 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -2.6500 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -4.9860 -2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -4.4130 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3900 -2.7400 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -3.0960 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -1.2690 -2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 -0.7370 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 1.1680 1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -2.4670 3.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -2.4930 5.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -0.8970 6.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -4.4660 6.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 -5.5450 7.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1640 -4.2260 7.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -1.8140 7.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -1.6930 -1.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1990 -1.8990 0.0090 H 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 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 52 1 M END