MDPI-ZINC04268160 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 -0.1780 1.3620 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -0.1660 0.1320 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1080 -0.5880 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -0.6740 1.3370 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6250 0.0240 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -2.0630 1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9870 -3.1910 1.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2670 -4.0350 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 -2.8360 -0.3820 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3970 -2.6860 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -3.8650 -1.3740 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6850 -5.3250 -0.9760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6820 -5.9160 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -5.8130 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 -5.6750 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 -4.2010 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 -3.6320 -2.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0630 -4.2270 -3.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 -2.1910 -2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0920 -1.1680 -1.4400 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9710 -1.1030 -0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -1.4110 -0.5820 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1100 -0.7420 0.7820 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4940 0.2840 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0150 -1.4420 1.6200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.6340 -1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -0.4360 -2.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 0.1250 -2.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5720 -4.1590 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7290 -3.4330 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -5.6080 -0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -6.8410 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -7.6560 -1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -7.2090 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -3.7080 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -3.6440 1.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 -4.6410 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7080 -5.1180 2.7590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9040 -5.1650 3.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 1.7740 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 1.7140 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 1.6880 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -2.1960 2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -2.1530 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9720 -5.2640 0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -6.8750 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 -6.0390 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 -6.2580 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 -2.0310 -2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 -1.9790 -3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1310 -1.0430 2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 0.4010 -2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3550 -4.7500 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7720 -3.1270 -2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4460 -4.5710 -1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5630 -3.9290 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0160 -2.4150 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8710 -3.4060 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -6.9820 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -8.2740 0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 -6.6370 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -2.6980 -2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -4.4300 -3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -3.8860 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 -4.3590 4.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 -5.9660 4.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -5.5500 3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 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 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 M END