MDPI-ZINC03845433 MOE2007 3D CORINA 3.40 0006 02.08.2006 77 81 0 0 0 0 0 0 0 0999 V2000 2.7920 1.7720 -3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 0.2810 -2.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3980 -0.2620 -1.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -1.6250 -1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 -2.4670 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -1.9090 -3.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -0.5470 -4.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -3.0540 -4.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -4.2850 -4.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -5.5660 -4.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -6.6200 -3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -7.8990 -4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -9.0500 -3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -10.2120 -4.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 -10.6020 -4.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 -9.4060 -5.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -8.1310 -5.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -6.7820 -6.0760 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -9.5950 -6.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -9.0060 -6.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -8.3590 -5.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -8.7210 -4.6590 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0450 -7.9070 -3.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 -7.9500 -2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -6.9890 -1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 -5.9760 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -5.9230 -3.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 -6.8750 -4.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -7.1090 -5.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -5.9310 -6.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 -7.3510 -6.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 -4.9330 -1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -9.8940 -4.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -3.8520 -2.7900 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -4.7390 -1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 -3.1250 -5.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -2.9040 -5.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 2.0400 -3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 2.0700 -4.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 2.2820 -2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 0.3850 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -2.0420 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.1250 -5.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -5.7800 -5.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -6.4160 -2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 -8.7330 -2.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 -9.3710 -2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 -9.9040 -4.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 -11.0640 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 -11.4020 -5.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 -10.9450 -4.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -10.2020 -7.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -9.0420 -7.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 -8.7360 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -7.0270 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 -5.1330 -4.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 -6.2700 -7.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -5.1540 -6.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -5.5290 -5.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 -8.1740 -6.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1370 -6.4490 -6.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2260 -7.6010 -7.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7700 -4.0980 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1880 -4.5770 -2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8630 -5.3690 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 -9.5830 -3.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -10.3740 -3.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -10.5980 -5.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -4.1400 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -5.3580 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 -5.3780 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7700 -3.2780 -4.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 -3.9550 -6.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1940 -2.1930 -6.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 -1.9670 -6.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -3.7370 -6.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -2.9020 -5.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 11 12 2 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 20 53 1 0 0 0 0 21 22 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 33 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 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 32 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 31 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 35 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 36 72 1 0 0 0 0 36 73 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 M CHG 1 22 1 M END