IFLAB-ZINC04139858 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 64 0 0 1 0 0 0 0 0999 V2000 -0.9510 0.8610 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -0.6370 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -1.3250 1.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -1.4890 1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -1.0830 0.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 -2.1930 2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -2.5700 2.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 -3.1450 3.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -3.2200 4.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -2.6240 3.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -2.5600 4.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -3.0950 5.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -3.6770 6.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -3.7460 5.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 -2.9730 6.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0170 -3.6870 7.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 -3.5150 7.6700 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0690 -3.7820 6.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -4.3240 8.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 -4.1760 10.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4690 -3.8330 10.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9540 -4.2620 9.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9230 -4.1370 9.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8380 -2.1340 7.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 -1.6090 7.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 -3.6180 4.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 -2.4850 4.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 -1.5360 5.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 -0.5000 6.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 -0.4020 5.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7050 -1.3430 4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -2.3810 4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 -2.3880 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 1.2260 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 1.3930 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3280 1.1120 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.9770 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -0.9070 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -2.1020 4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -4.0880 7.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 -4.2010 6.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -4.7520 7.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -3.2550 8.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 -5.3940 8.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -4.1520 9.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4540 -3.6470 11.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8470 -5.2580 10.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0230 -4.3410 11.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6260 -2.7530 10.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 -4.2650 5.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0410 -4.2580 3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 -1.5920 6.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8780 0.2320 6.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0490 0.4060 5.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6580 -1.2690 3.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1150 -3.1070 3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 -1.3630 1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 -3.0740 1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -2.5800 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3970 -3.7930 9.1780 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3140 -2.7630 9.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1000 -4.0740 8.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 60 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 60 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 0 0 0 0 M CHG 1 60 1 M END