IBS-ZINC04652796 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 56 0 0 1 0 0 0 0 0999 V2000 1.6910 1.7990 2.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 0.2860 2.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -0.4290 1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 -1.9670 1.6940 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4400 -2.0890 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -2.5110 1.1730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4240 -2.3480 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -4.8860 2.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2000 -5.7790 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -4.3000 2.5910 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9470 -4.3780 1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -2.7830 2.9330 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4170 -2.4560 4.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5550 -2.3960 3.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -5.1700 3.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -5.4130 3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -4.6980 3.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 -5.2550 4.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 -6.5450 4.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 -7.2860 4.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -6.7260 3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1770 -7.2260 5.8770 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -1.8710 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -1.4270 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 -0.8650 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -0.7460 -2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 -1.1860 -2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -1.7490 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -0.0550 -3.9170 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 2.1170 2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 2.2910 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 2.1470 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 0.0050 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 0.0020 3.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 -0.2270 2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 0.0460 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 -2.5920 4.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -3.0660 5.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -1.4220 4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -2.6060 4.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -6.1990 3.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 -4.8100 3.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 -5.1960 4.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -3.6930 3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 -4.6730 4.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7760 -8.2990 4.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -7.3430 3.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -1.5060 0.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -0.5220 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -1.0930 -3.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -2.0780 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -3.9940 0.9540 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5360 -4.3300 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -4.1520 0.1240 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 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 52 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 52 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 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 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 M CHG 1 52 1 M END