MDPI-ZINC03850205 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 47 0 0 1 0 0 0 0 0999 V2000 0.9840 -0.2380 0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 0.3750 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 0.4690 -1.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -0.5050 -0.1450 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8440 -0.4030 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -1.9660 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -2.4460 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -3.9240 -1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -4.5310 -0.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -0.0750 0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 -0.2770 2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6480 0.1000 3.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 0.7010 3.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7430 1.1030 4.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 1.6840 3.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 1.8850 2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5310 1.5070 1.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2890 0.9060 1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 0.5080 0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7670 2.0720 4.8150 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0090 2.6740 4.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 1.7550 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 2.1650 1.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 0.3770 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -0.2830 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -1.2440 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -0.5350 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 0.9870 -2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 1.0200 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -2.0520 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -2.5800 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 -2.2570 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -1.9080 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -0.7380 2.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -0.0630 4.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 0.9520 5.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2880 2.3460 2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 1.6680 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 0.6620 -0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8150 3.5740 3.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5880 1.9710 3.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5690 2.9360 5.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -4.5650 -1.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 2.5280 -0.3700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 3.4310 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -5.5130 -1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 43 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 43 46 1 0 0 0 0 44 45 1 0 0 0 0 M END