IBS-ZINC05141865 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 1.0420 -0.5840 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -0.0090 0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 -0.6410 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -0.1360 0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4730 -0.7780 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.9290 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -2.4340 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -1.7880 -0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -2.5810 0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 -1.8460 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2880 -2.4900 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4360 -1.7120 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3220 -0.3860 0.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1350 0.1930 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0220 -0.5160 0.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0570 1.5750 0.2840 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2760 2.3780 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9180 3.8410 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8700 4.5230 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5420 5.8660 -0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2620 6.5270 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3100 5.8440 1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6440 4.5030 1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8490 8.2130 0.3240 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -9.6810 -2.3100 0.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3730 -3.9680 0.2640 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.3050 -4.5860 1.3110 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5100 -4.5660 -0.7890 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9470 0.0170 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -1.5980 -0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -0.6090 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 0.7590 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 -0.3850 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -3.3300 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -2.1790 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 -3.5460 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1950 2.0120 0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9450 2.1550 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7730 2.1390 1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0880 4.0060 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5040 6.3980 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0920 6.3600 2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6860 3.9710 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7570 -3.2770 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4770 -1.7610 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END