IFLAB-ZINC05257720 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.0760 0.5240 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -0.9550 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -1.1970 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -1.5580 -2.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -1.7930 -3.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -1.6650 -3.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 -1.3040 -2.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -1.0640 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 -0.7020 -0.2650 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4230 -0.5630 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 -0.6850 -1.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 -0.2630 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5090 -0.3770 1.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0040 0.2630 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0340 -0.0530 2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6370 -1.0950 2.9870 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9090 -2.0120 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2180 -3.4940 -0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1520 -3.7320 -1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 1.0930 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 0.9600 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 0.6600 1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -1.3970 1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -1.4850 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -1.6560 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2460 -2.0700 -4.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -1.8400 -4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 -1.2100 -2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -0.5240 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6810 0.7540 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 -0.9440 1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8050 -1.4330 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4570 -1.6190 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6720 -3.8700 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2870 -4.0560 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7150 -3.3990 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -3.2530 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8210 1.0820 3.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 6.9420 -1.8310 0.8500 N 0 3 0 0 0 0 0 0 0 0 0 0 7.4240 -1.9990 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1450 -2.4750 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4010 -5.1860 -1.6970 N 0 3 0 0 0 0 0 0 0 0 0 0 10.0130 -5.3780 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5290 -5.7120 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8640 -5.5780 -0.8650 H 0 0 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 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 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 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 42 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 38 -1 M CHG 1 39 1 M CHG 1 42 1 M END