MDPI-ZINC04245645 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7420 -0.4710 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -0.3840 1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 -1.2320 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 -2.0520 -0.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -1.0090 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.4520 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -0.2280 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5620 -0.7630 -2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -0.0960 -1.1810 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1440 0.9860 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -0.4970 0.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4640 -1.5830 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1320 0.1530 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -0.3810 1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 0.0080 0.1420 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6620 -0.4910 -1.0920 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1930 -0.0960 -1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8570 -2.0180 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 -2.1840 -0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6560 -0.8620 0.1630 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0130 -1.2020 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 -1.4740 2.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7320 -0.1620 -0.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6780 1.5060 0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 0.1520 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -1.5050 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 0.6510 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7590 -0.7680 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 -1.3070 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 0.8380 -2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -0.7590 -3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1480 -0.5380 -3.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -1.8420 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 -0.0950 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 1.2340 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 -1.4670 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0330 0.0370 2.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 -2.4400 -2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -2.4810 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9920 -2.3120 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3550 -3.0440 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5520 -1.7160 3.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5640 -0.6550 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 2.0680 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2660 1.7380 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 1.7800 1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 3 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M END