MDPI-ZINC03847443 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 74 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 1.0140 2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 1.2270 3.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4750 2.6640 3.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 3.1430 4.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 4.4540 4.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3420 5.2950 3.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 4.8130 2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 3.4980 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 3.0250 1.2700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3030 3.4000 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 3.5550 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 4.2570 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7080 4.7760 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 5.5160 -2.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 5.9990 -4.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 5.7510 -4.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 5.0160 -3.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0790 4.5240 -2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 6.2290 -5.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3040 5.9370 -5.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9350 6.5440 -6.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0100 5.8140 -7.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5890 6.3710 -8.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0940 7.6570 -8.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0200 8.3870 -7.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4440 7.8280 -6.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7670 6.5850 3.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 7.3890 2.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 8.7770 2.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 9.7480 3.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 11.0220 3.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 11.3230 3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 10.3510 2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 9.0800 2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 4.9190 6.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 3.9980 7.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 1.5320 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -0.0520 2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 0.5770 3.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 0.9840 4.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 2.4890 5.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 5.4640 1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 3.3620 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 4.4500 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 5.7100 -2.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 6.5720 -4.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 4.8250 -3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 3.9480 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4490 4.8570 -5.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 6.3560 -4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 4.8100 -7.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6470 5.8010 -9.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5460 8.0920 -9.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4140 9.3920 -7.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 8.3970 -5.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 7.4420 2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 6.9440 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 9.5130 3.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 11.7810 4.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 12.3170 3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 10.5870 2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 8.3210 2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 4.4950 7.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 3.1500 6.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1450 3.6460 7.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 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 1 70 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 2 70 1 0 0 0 0 3 4 1 0 0 0 0 3 43 1 0 0 0 0 3 44 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 45 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 70 1 0 0 0 0 12 13 2 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 62 1 0 0 0 0 32 33 1 0 0 0 0 32 63 1 0 0 0 0 33 34 2 0 0 0 0 33 64 1 0 0 0 0 34 35 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 36 37 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 M END