MDPI-ZINC04293119 MOE2007 3D CORINA 3.40 0006 02.08.2006 81 84 0 0 1 0 0 0 0 0999 V2000 1.3920 -1.1720 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -0.3140 0.5050 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5520 -0.6210 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 1.1580 0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 1.3660 2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 2.8150 2.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 3.6010 1.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 3.2330 3.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 4.6420 4.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -0.4950 -0.9620 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3010 0.1810 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 -0.2260 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0150 -1.5500 -1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 -2.6200 -1.1540 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1510 -2.7830 -0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -1.9650 -1.4000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3160 -1.9280 -2.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4340 -3.3170 -3.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -3.7940 -3.3650 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5540 -3.0560 -3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 -3.9340 -1.8840 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2090 -4.2740 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -4.9900 -1.2700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2200 -4.6700 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -6.3260 -1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -6.1570 -3.4700 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0730 -5.8240 -3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -5.1340 -4.0750 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5140 -5.5990 -3.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -6.9380 -4.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7630 -7.9790 -4.0230 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8920 -8.9340 -4.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -7.4940 -4.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0820 -8.1350 -2.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 -9.0640 -2.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 -9.7240 -3.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 -9.2820 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 -4.9720 -5.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -5.1500 0.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -5.5080 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -5.6830 0.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -5.6930 2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -2.6340 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -2.2270 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 -0.9490 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -0.9520 2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 1.4370 0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 1.7790 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 1.0860 2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 0.7450 3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 4.8450 5.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 4.8980 4.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 5.2400 3.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 0.5590 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 0.0670 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -1.5560 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9920 -1.7040 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -1.5610 -3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -1.2520 -3.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 -4.0070 -3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -3.2700 -4.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4900 -6.6430 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -7.0760 -1.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 -4.8570 -4.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7530 -5.7170 -2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 -6.8200 -5.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 -7.2680 -4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6180 -8.2360 -3.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -7.3720 -5.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 -10.0380 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4160 -9.6200 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 -8.3470 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -4.2320 -6.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -5.9280 -6.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -4.6400 -5.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -4.7580 2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -5.9810 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -6.4730 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -1.9390 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -3.5260 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -2.9140 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 9 53 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 14 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 19 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 33 1 0 0 0 0 28 29 1 0 0 0 0 28 38 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 M END