MDPI-ZINC04266236 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 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 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7350 -0.0630 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.1300 2.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 0.6470 3.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.2380 3.3770 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6630 0.7460 2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 2.7630 3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 3.2680 4.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 1.9950 5.3430 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0740 1.1180 4.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 0.8780 5.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 1.2140 4.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5670 2.0070 5.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -0.2100 5.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 2.2420 6.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -2.0110 1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3840 -2.6990 2.0380 O 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -0.4840 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 3.2640 2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 2.9200 2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 4.0180 4.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 3.6750 4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 3.0400 4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 1.9830 6.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 1.5640 4.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1470 -0.7660 4.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -0.1740 6.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -0.7060 5.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 2.7800 7.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 1.2870 7.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 2.8340 7.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -2.5820 0.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5800 -3.5470 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 18 1 0 0 0 0 5 6 2 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 39 40 1 0 0 0 0 M END