IFLAB-ZINC05257698 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 -1.5050 1.2800 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 0.0650 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 -0.2970 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -1.4080 1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -2.1730 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -1.8280 -0.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.7130 -0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -0.3380 -2.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -0.9570 -3.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 -1.9360 -3.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -0.2620 -4.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -1.2300 -5.9040 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7000 -1.9010 -5.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -0.3310 -7.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -0.3160 -7.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -3.3700 -6.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -3.8940 -6.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 -5.1120 -7.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 2.0300 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 1.0010 -1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 1.7490 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 0.2900 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -1.6760 2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -3.0410 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -2.4590 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 0.4850 -2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 0.2400 -4.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 0.5230 -4.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -3.1530 -7.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -4.0720 -6.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -3.1080 -7.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 -4.1510 -6.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -5.9590 -7.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0980 -4.8850 -8.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 0.2050 -7.5160 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4240 -2.1050 -5.8940 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0830 -1.4690 -6.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 -2.2490 -4.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 -5.5490 -8.2660 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9630 -6.3580 -8.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 -5.8260 -7.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -4.8030 -8.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 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 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 18 39 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 M CHG 1 35 -1 M CHG 1 36 1 M CHG 1 39 1 M END