MDPI-ZINC03843717 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 68 0 0 1 0 0 0 0 0999 V2000 -0.0020 1.4880 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.0360 0.1340 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7090 -0.5620 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -0.1180 1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 -0.5960 0.1670 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9290 -0.2100 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -0.0870 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 -0.5710 -1.0930 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7630 -1.6720 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -0.1970 -2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 -0.7310 -2.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -0.1190 -1.2040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9750 0.9790 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -0.5880 0.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3060 -1.6780 0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -0.2110 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 -1.0440 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 -1.4360 -0.0980 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5760 -0.3630 -1.1320 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0710 0.5920 -0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 -0.8810 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6360 -1.3900 -1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4720 -1.5010 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3220 -1.6140 0.5120 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 -2.8190 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -2.0240 0.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -2.5800 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -4.0840 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6090 -4.7420 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5550 -6.1220 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 -6.8420 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -6.1840 1.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 -4.8050 1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 1.8570 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.8630 -0.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 1.8330 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 -0.1730 2.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.6520 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 0.9640 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -0.5560 2.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 0.9970 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 -0.4920 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 0.8830 -2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 -0.6430 -3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -0.4310 -3.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -1.8150 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -0.3960 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 0.8500 1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -1.9430 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 -0.4550 1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4410 -0.0640 -3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7190 -1.6830 -2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4250 -0.6780 -2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8720 -2.3650 -2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7120 -3.5360 0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -3.1330 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -2.7740 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 -2.2250 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 -2.2710 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 -4.1790 -1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0020 -6.6360 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 -7.9200 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -6.7470 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9680 -4.2900 2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 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 7 1 0 0 0 0 5 26 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 10 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 16 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 25 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 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 2 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 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 64 1 0 0 0 0 M END