MDPI-ZINC03846903 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 0 0 0 0 0999 V2000 -1.9790 0.2100 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5690 -1.2490 -0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 -1.7410 0.7770 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -3.0310 0.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -4.0050 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -5.2990 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -5.6560 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -4.6850 2.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -3.3960 2.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -4.9310 3.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -6.1160 3.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2590 -6.2190 5.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 -7.4530 5.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0710 -7.4750 6.1480 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8760 -8.7190 6.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9480 -8.9110 5.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 -6.2420 6.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -6.0860 8.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -8.6580 4.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 -8.5310 3.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -7.2240 3.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -7.0230 1.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -8.1330 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -8.8860 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -9.9030 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -10.1720 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -9.4280 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -8.4080 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -7.6420 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 -7.5200 1.0690 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1350 0.8290 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 0.5890 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 0.3310 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4330 -1.8330 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 -1.3320 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 -1.1050 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -3.7790 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -6.0120 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 -2.6680 3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3280 -5.3710 5.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 -8.5970 7.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 -9.5770 6.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 -9.0430 4.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -8.0530 5.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5450 -9.8000 5.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -6.3600 7.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -5.3690 6.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -6.9500 8.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 -5.1960 8.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7920 -5.9780 8.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 -9.6470 4.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -9.4200 2.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -8.6720 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -10.4750 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -10.9540 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -9.6340 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 -7.2090 -1.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 2 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 57 2 0 0 0 0 M CHG 1 14 1 M CHG 1 30 -1 M END