IFLAB-ZINC02457420 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 1.1400 1.4780 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.1100 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -0.7610 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 -2.0510 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -2.5250 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -1.6370 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4630 -0.3430 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -3.7980 -0.5370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -4.5640 -1.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -5.9820 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -6.6550 -0.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -5.8800 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8420 -4.4600 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -7.9280 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -8.4960 -1.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -8.5920 0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7630 -10.0160 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 -10.7230 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2130 -10.0330 1.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 1.4410 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 2.1790 -0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 1.8760 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.4480 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -2.6970 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -1.9310 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 0.3050 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -4.6180 -2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -4.0950 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 -6.5640 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9630 -5.9290 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -6.3760 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -5.8270 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 -3.8960 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 -4.5250 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -8.6110 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 -7.9770 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -10.0050 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -10.6240 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 -11.9280 0.2890 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 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 23 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 14 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 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 M CHG 1 39 -1 M END