IFLAB-ZINC04272872 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 1 0 0 0 0 0999 V2000 -0.2030 1.2440 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -0.1070 -1.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -0.6230 -0.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0470 0.1910 -0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 1.5540 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 2.0770 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 -0.3190 0.6660 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 0.4810 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -0.3370 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3680 -2.4540 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 -1.6470 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9460 -2.4170 1.1740 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7230 -1.6520 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1080 -3.4280 2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4100 -2.8610 3.6640 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 -1.8710 4.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 -1.3420 3.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0410 -1.4750 5.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 -0.9970 6.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3240 -0.6310 7.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6400 -0.7370 8.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 -1.1940 7.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3590 -1.5580 6.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9550 -0.3670 9.6570 N 0 3 0 0 0 0 0 0 0 0 0 0 7.0190 -0.0180 10.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1410 -0.4290 10.0100 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1560 -3.0800 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8930 -2.7470 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6830 -3.7850 -2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8360 -4.6840 -1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 -4.2660 -0.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 1.6460 -1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -0.7640 -2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -1.6780 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 2.2330 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 3.1340 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 1.3710 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3970 0.8230 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 -0.5690 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5170 0.2140 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 -3.3930 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -2.6540 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -1.5120 2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -2.2300 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2190 -4.0560 2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9450 -4.1050 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1910 -3.2720 4.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 -0.9180 6.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5200 -0.2730 8.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6910 -1.2700 7.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1740 -1.8820 5.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5070 -1.8660 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0980 -3.8690 -3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3950 -5.6210 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6170 -1.6590 1.2780 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5320 -1.4190 2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 9 55 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 10 55 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 12 55 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 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 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 55 1 M END