IFLAB-ZINC04568867 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 2.4910 2.2730 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 2.1920 1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 2.9010 2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 3.5960 4.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 2.8860 3.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5890 3.5140 4.7680 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4540 3.2100 5.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 3.0500 4.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 1.5870 4.1960 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 0.9480 3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1070 1.5860 3.5530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 -0.5280 3.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -1.1920 3.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3100 -2.5700 3.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -3.2940 3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -2.6420 3.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -1.2620 4.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -3.3560 4.2790 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 5.0160 4.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9770 5.6620 3.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 7.0390 3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3440 7.7750 4.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 7.1240 5.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 5.7440 5.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3720 8.0580 6.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 9.3140 6.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 9.1170 4.6380 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 2.3420 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 1.2260 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 2.8020 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 1.1580 2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 2.2110 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 3.9270 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 2.3750 2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 3.5760 5.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 4.6300 3.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 3.4120 3.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 1.8610 3.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 3.3880 4.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 3.4690 3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 1.0780 4.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1840 -0.6290 3.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2120 -3.0840 2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -4.3730 3.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -0.7540 4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 5.0900 2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 7.5410 2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 5.2360 6.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8640 9.5180 6.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 10.1230 6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 2.8800 1.8930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 2.9080 3.9390 N 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 51 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 52 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 51 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 52 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 41 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 17 2 0 0 0 0 13 14 2 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 16 2 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 45 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 M END