IBS-ZINC04028279 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 0.2550 0.8600 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8830 1.3090 3.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 2.0010 3.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 3.4950 3.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 4.3100 4.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 5.6700 4.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6030 6.2440 3.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 5.4720 2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 4.0700 2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 3.1860 1.5630 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3920 3.3850 1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 3.4980 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 2.9320 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 1.8500 0.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 3.6810 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 3.1710 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9650 3.8300 -1.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3060 3.6910 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3310 4.2740 -2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0260 4.9920 -3.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7000 5.1230 -3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6750 4.5410 -2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 5.9190 1.6280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 7.3130 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 7.5970 3.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 7.8010 5.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 6.5780 5.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.2000 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 1.1230 1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 1.0840 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 1.6110 3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 0.2220 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 1.6800 3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 1.7140 4.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 3.8940 5.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 4.5720 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 3.0460 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 4.6340 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2110 2.2200 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5690 3.1320 -0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3650 4.1650 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8220 5.4430 -3.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4630 5.6730 -4.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 4.6410 -3.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 7.6620 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 7.4720 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 7.8860 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 8.2840 5.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 8.4680 4.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7930 1.6650 1.8230 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7200 1.3870 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 50 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 50 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END