IFLAB-ZINC04040112 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 0.0440 1.5050 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -0.0020 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -0.6980 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -2.0810 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -2.7700 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -2.0730 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.6860 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 0.0740 -2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.7490 -2.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1760 -2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -4.7470 -3.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -4.0050 -4.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -6.0830 -3.8930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -6.6150 -5.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -5.9530 -6.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -6.4800 -7.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -7.6670 -7.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -8.3330 -6.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -7.8140 -5.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -8.4710 -4.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 -9.6950 -4.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -8.2260 -9.1030 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1090 -7.6410 -10.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9920 -9.2720 -9.2840 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0680 1.8780 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 1.8680 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 1.8600 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -0.1610 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -2.6220 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -3.8500 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 0.2660 -2.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -0.5160 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 1.0210 -2.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 -4.5050 -1.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -4.5220 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -6.6750 -3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 -5.0250 -6.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -5.9630 -8.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -9.2600 -6.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 -9.5020 -5.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2790 -10.4020 -5.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 -10.1150 -3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 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 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END