MDPI-ZINC03847979 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 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 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -0.0930 -1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 0.6060 -0.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -0.5410 -2.5710 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2300 -0.1790 -3.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 -2.0460 -2.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -2.7380 -3.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -4.1190 -3.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -4.8080 -2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 -4.1170 -1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -2.7350 -1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1280 0.0170 -2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6540 0.2180 -1.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 0.3240 -3.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 0.8660 -3.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3060 0.0030 -3.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5600 0.5000 -3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7430 1.8610 -2.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6730 2.7240 -2.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 2.2270 -3.3000 C 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7910 -2.1990 -4.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -4.6590 -4.5350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -5.8870 -2.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -4.6550 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -2.1950 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9740 -0.5880 -4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 1.0650 -4.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1630 -1.0600 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3960 -0.1740 -2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7220 2.2490 -2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8160 3.7870 -2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 2.9020 -3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 15 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 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 M END