IFLAB-ZINC04850787 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 58 0 0 1 0 0 0 0 0999 V2000 0.4710 1.2390 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -0.2590 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -1.0140 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -2.4090 0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -3.0780 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -2.3160 -1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -0.9200 -1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -4.6020 -0.3390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2740 -4.9860 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 -5.1140 -0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -4.6070 0.2140 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 -4.9730 1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -5.6970 2.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2350 -4.3690 2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5810 -4.7340 1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4390 -3.7400 1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6690 -4.0850 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0470 -5.4250 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2090 -6.4230 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 -6.0780 1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5590 -5.8490 -0.0810 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -4.7020 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 -5.2590 -1.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -7.2060 -2.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4770 -6.7040 -1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9150 -7.2390 -2.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 1.6060 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 1.6680 -1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 1.5990 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.5180 1.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -2.9660 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -2.7880 -2.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0330 -0.3480 -2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -6.2050 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -4.8420 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 -3.9810 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0960 -3.2810 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -4.7160 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1610 -2.6890 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 -3.3060 0.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5030 -7.4670 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3310 -6.8650 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -3.6100 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -5.0310 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 -4.9190 -1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -4.8350 -2.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3110 -6.8920 -3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -8.3030 -2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -7.0870 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 -7.0120 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 -6.8990 -3.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 -6.9170 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 -8.3350 -2.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -5.1800 -1.3130 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2810 -4.8160 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -6.7270 -1.9820 N 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 54 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 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 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 54 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 56 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 54 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 26 56 1 0 0 0 0 54 55 1 0 0 0 0 M CHG 1 54 1 M END