MDPI-ZINC04268193 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 1 0 0 0 0 0999 V2000 -0.1230 1.7870 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 0.2700 0.0780 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4610 0.0050 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.3590 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7580 -0.0660 1.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -1.4680 1.7820 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5980 -2.6750 2.1650 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4270 -2.3530 2.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -3.6620 2.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -2.9480 4.2400 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2780 -2.4720 4.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -3.9000 5.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -3.1760 6.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 -1.9950 6.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 -1.0490 5.2970 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4260 -0.1730 5.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6180 -1.7820 3.9530 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9920 -0.8410 2.9420 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1650 -0.3400 3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 0.3320 2.4860 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1800 1.2280 2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 0.2400 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -0.3770 0.0580 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1300 -1.8100 0.5800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5400 -2.3340 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -2.5600 0.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -0.4090 -1.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 0.6130 3.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3350 1.8890 3.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 2.7430 2.8220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 2.2560 4.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 -2.2540 3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.6480 5.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 0.4560 6.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 1.0670 6.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 0.9330 7.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -4.7340 5.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -4.8960 4.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 -3.3120 0.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 2.1910 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 2.1940 -0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 2.0620 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -3.9210 2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -4.5560 3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0850 -3.8900 7.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -2.8310 7.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4350 -2.3270 5.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -1.4330 7.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 -0.3590 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 1.2400 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -2.7570 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 0.4650 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8240 1.3610 4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 2.9780 5.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 2.6940 3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 -2.7180 4.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -1.4000 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8650 -2.9790 2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 1.1520 6.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 1.8360 7.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 0.1570 7.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -4.0670 6.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -5.4310 6.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -5.2900 4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -5.4150 3.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 -5.6210 5.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 -4.3630 4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -4.0910 1.1810 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 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 17 18 1 0 0 0 0 17 32 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 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 39 68 1 0 0 0 0 M END