MDPI-ZINC03846552 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 1 0 0 0 0 0999 V2000 0.1610 1.5920 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 0.1580 0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -0.5580 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 0.0790 2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -0.6410 3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -2.0040 3.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4400 -2.6480 2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 -1.9360 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -2.6150 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -1.9430 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -0.4740 -1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 0.1320 -2.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -2.7420 -2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -3.8870 -2.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -2.1750 -3.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -3.3050 -4.8360 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7400 -3.9280 -4.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -2.7830 -6.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -1.8240 -6.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -1.3690 -8.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -1.8680 -8.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 -2.8260 -8.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -3.2760 -6.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -4.2300 -6.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0190 -5.5150 -5.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -6.4660 -5.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2530 -6.5290 -6.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 -7.3860 -5.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3170 -8.1630 -4.8100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -8.0890 -3.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -7.2650 -4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -3.9770 0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 1.7770 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 2.0090 -0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 2.1050 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 1.1430 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -0.1340 4.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -2.5660 4.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -3.7180 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -1.5310 -4.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -1.5770 -3.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -1.4090 -6.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -0.6220 -8.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -1.5110 -9.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 -3.2090 -8.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0880 -4.4200 -6.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -5.9380 -5.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -5.3060 -6.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 -5.9320 -7.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1690 -7.4710 -6.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -8.7280 -3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -7.2520 -3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -4.3040 -0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -4.2140 -4.9360 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5210 -4.4270 -3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -3.7270 -5.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 11 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 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 54 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 32 53 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 M CHG 1 54 1 M END