IFLAB-ZINC05258137 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 48 0 0 1 0 0 0 0 0999 V2000 -0.0930 1.6220 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 0.1810 -0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.1780 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -1.5080 0.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -2.5070 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -2.1520 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -0.8190 -1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -0.4910 -2.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -3.8730 0.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -4.4470 1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -3.8890 2.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -5.9510 1.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -6.4690 2.9710 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5000 -6.1560 3.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -8.0090 2.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -8.3640 3.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -5.9690 5.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -5.9490 5.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -6.1790 7.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 -6.5230 9.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 1.7300 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 1.9950 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 2.2570 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.5790 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -1.7230 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -2.9180 -1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -0.0540 -3.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -1.3850 -3.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 0.2110 -2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -4.4880 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 -6.2240 1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 -6.4120 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -6.8930 5.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 -5.1070 5.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -6.7320 5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -4.9900 5.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -5.3590 7.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 -7.1310 7.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 -5.7210 9.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2540 -6.5430 9.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -7.4940 9.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -8.6620 2.6140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6100 -5.9230 3.7290 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3300 -6.6250 3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -4.9740 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -6.2420 7.9130 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7000 -6.9710 7.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6510 -5.3560 7.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 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 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 43 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 46 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 46 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 M CHG 1 42 -1 M CHG 1 43 1 M CHG 1 46 1 M END