MDPI-ZINC03845881 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 0.1720 1.7560 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 0.2240 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -0.2230 1.2300 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0110 -1.2760 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -0.0420 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -0.8820 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -0.4340 -1.5870 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5860 -0.2920 -1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4290 0.8720 -2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -1.5090 -2.6940 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5180 -2.4380 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -1.0310 -3.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 -0.9440 -3.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -0.4660 -4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -1.4550 -5.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -1.5410 -6.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -2.0200 -5.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 -1.7350 -3.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 0.6000 2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 1.6450 2.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -0.2900 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 2.1600 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 2.0790 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2890 2.1180 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 1.0050 0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -0.3930 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -0.7640 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -1.9350 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 0.6830 -2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 1.2550 -2.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 1.6070 -1.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -0.0470 -4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -1.9280 -3.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -0.2400 -2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 -0.4040 -4.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 0.5180 -5.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3730 -2.4390 -5.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -1.1140 -6.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 -2.2460 -7.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -0.5580 -6.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 -2.0820 -5.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -3.0040 -4.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7310 -0.9500 -3.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 0.0480 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -1.3790 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 0.0990 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 0.1700 3.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 0.7310 4.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 2 0 0 0 0 19 47 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 47 48 1 0 0 0 0 M END