MDPI-ZINC03120785 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 52 0 0 0 0 0 0 0 0999 V2000 13.9990 -4.1380 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0420 -5.1380 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7010 -4.8140 0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3100 -3.4740 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2810 -2.4700 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6180 -2.8080 0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8770 -3.1200 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4240 -1.8970 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 -1.9260 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 -0.8480 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7350 0.5150 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 1.6070 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 2.8910 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7220 3.1130 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6120 2.0340 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1160 0.7300 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0590 2.2730 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5500 3.5430 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9650 3.9460 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9450 3.2280 0.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9360 5.2820 0.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6530 5.6910 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8320 4.6960 0.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2290 7.0930 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1830 8.0950 1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7800 9.4030 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4340 9.7230 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4830 8.7350 1.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8720 7.4240 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6980 -3.3560 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 -3.8360 0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8740 -4.0190 0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0470 -4.3970 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3460 -6.1740 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9560 -5.5960 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9850 -1.4320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3700 -2.0330 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1370 -1.0080 -0.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7930 1.4420 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 3.7270 0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1040 4.1220 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7950 -0.1060 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7400 1.4530 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2340 7.8470 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5160 10.1790 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1240 10.7490 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4340 8.9920 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1300 6.6550 0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 38 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 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 M END