MDPI-ZINC03847354 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6080 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1560 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -0.4550 -3.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -1.8300 -3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -2.6000 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -1.9960 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -2.7560 -0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -4.1740 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -4.8450 0.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -5.1680 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3760 -5.7840 1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -6.0760 3.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -5.7530 3.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -5.1420 2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -2.5370 -4.3670 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4970 -2.8900 -4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -0.3890 -5.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 0.4200 -4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -3.7330 -4.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -4.5130 -5.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2390 -5.5430 -5.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 -6.2590 -6.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7170 -5.9460 -7.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -4.9170 -8.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 -4.2040 -7.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 1.2340 -2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3270 -3.6780 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -4.4840 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -4.4600 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -4.9400 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -6.0360 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 -6.5560 3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -5.9810 3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -4.8930 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 0.1920 -5.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -0.6320 -4.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 0.8060 -4.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 1.2540 -3.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4820 -4.3760 -3.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -3.3770 -5.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3840 -5.7870 -4.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5690 -7.0630 -6.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 -6.5050 -8.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7200 -4.6720 -9.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -3.4020 -7.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6740 -1.6280 -5.5070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 -2.0740 -6.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 51 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 51 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 51 52 1 0 0 0 0 M END