MDPI-ZINC04293158 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 1 0 0 0 0 0999 V2000 -0.5070 1.3750 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -0.0520 -0.1150 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7800 -0.7610 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -0.2500 -1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.0600 -2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -0.2540 -3.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -0.5180 -3.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -0.2860 1.1970 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7330 0.2520 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 0.0690 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -0.9620 3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 -1.7600 2.8940 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2990 -1.0960 2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -1.8060 1.4210 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1730 -2.4030 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -3.7760 1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 -3.6440 2.6510 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7670 -2.9080 2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -3.0920 3.4860 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1860 -2.9090 4.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -4.1220 3.6010 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2960 -4.4110 2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -5.3930 4.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3400 -5.9690 3.3710 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9160 -6.1640 2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 -4.9530 3.2320 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0770 -4.6960 4.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6360 -5.9870 5.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5810 -7.0810 5.2760 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0900 -8.0280 5.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 -7.2790 3.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -6.8030 6.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5630 -5.5180 2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -3.6270 4.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -2.5300 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 2.0840 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 1.5420 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 1.5160 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 0.4810 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -1.2560 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -0.7900 -2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 0.9460 -2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 1.0700 2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 0.0100 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -0.4500 4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -1.5830 3.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -2.5170 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0470 -1.7480 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -4.4460 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3540 -4.1740 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -5.1300 5.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -6.1200 4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -3.9630 4.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 -4.2890 5.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4970 -6.3320 4.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 -5.7770 6.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 -7.9480 4.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 -7.7780 3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 -6.7450 7.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3820 -4.8030 2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -6.4550 2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 -5.7000 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -4.2460 4.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -2.3700 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -3.5980 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -2.1400 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.1350 -5.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 -0.2690 -5.7320 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 8 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 2 0 0 0 0 6 67 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 26 27 1 0 0 0 0 26 33 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 67 68 1 0 0 0 0 M END