IFLAB-ZINC00646207 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 2.0140 0.7550 0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -0.2620 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -0.7780 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -1.6650 0.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -1.7020 -0.8360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -0.8090 -1.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 -2.4900 -1.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -2.0020 -3.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -2.7810 -4.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 -4.0440 -3.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -4.5320 -2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -3.7610 -1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -2.3820 1.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.4160 2.5630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8790 0.1860 2.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -1.6930 3.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -2.4010 3.2180 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8700 -2.8500 4.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -2.5390 2.0980 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2460 0.3740 2.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4830 -0.2390 2.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 0.4850 3.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 1.8220 3.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 2.4350 3.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 1.7090 3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 2.4770 3.3060 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 0.2430 0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 1.3500 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 1.4070 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -1.0160 -3.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 -2.4030 -5.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 -4.6510 -4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -5.5190 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -4.1440 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -1.9830 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -1.4350 4.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 -2.3350 3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -1.2830 2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 0.0070 2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 2.3870 3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 3.4790 3.7210 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 6 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END