MDPI-ZINC03844265 MOE2007 3D CORINA 3.40 0006 02.08.2006 73 76 0 0 1 0 0 0 0 0999 V2000 2.1030 -3.9620 3.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -3.5620 2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -3.8850 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -4.3390 2.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -3.8500 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -4.6270 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8470 -4.1370 -0.3570 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3310 -4.4310 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9670 -2.6130 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -4.7570 -0.3380 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8110 -4.4490 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9880 -4.3560 0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 -5.6350 1.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 -6.5080 1.2340 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9700 -6.0570 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -6.2960 -0.2740 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1340 -6.9820 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -8.4270 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 -8.8930 0.4360 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8650 -8.9710 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9170 -7.9510 1.6310 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9910 -8.1120 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -8.3450 2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 -9.7830 2.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5640 -10.3900 3.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -10.3930 2.4200 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6860 -9.8150 2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -10.3210 0.8950 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2340 -10.8130 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -12.2660 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -12.4240 2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -13.0140 2.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3890 -11.8380 2.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 -11.2040 0.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5870 -6.7660 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -3.4090 3.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -3.7320 4.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3130 -5.0310 3.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -2.4930 2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 -4.9550 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 -3.6000 0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 -3.3320 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -5.4020 2.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5320 -4.1780 3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -2.7860 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -4.0100 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -5.6900 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6390 -4.4660 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3730 -2.3120 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -2.1660 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -2.2740 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4390 -3.5720 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9940 -4.0180 0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -5.3870 2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0240 -6.1090 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 -6.9880 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1760 -6.4500 -1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 -9.0890 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -8.5110 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1190 -7.7000 3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0270 -8.2920 1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2530 -10.7480 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -10.1870 0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -12.9370 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 -12.5340 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2460 -11.8500 3.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2680 -12.4290 2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7150 -11.1430 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 -12.2380 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6410 -10.8610 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8540 -6.2940 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5850 -7.8490 -0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3150 -6.4880 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 7 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 9 51 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 52 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 54 1 0 0 0 0 13 55 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 35 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 19 1 0 0 0 0 18 58 1 0 0 0 0 18 59 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 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 2 0 0 0 0 24 26 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 34 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 M END