MDPI-ZINC03846003 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 1 0 0 0 0 0999 V2000 -0.2650 1.6170 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 0.2090 0.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4760 0.3380 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -0.5880 1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -1.9970 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -1.8080 1.0090 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3210 -0.6840 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 0.1050 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -1.2860 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7690 -1.4120 2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9330 -3.1500 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -4.2010 0.9030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 2.1280 0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 2.2230 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7720 1.6010 1.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -0.5890 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -0.1590 2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -2.5870 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -2.5090 2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6720 0.8730 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -0.5470 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 0.6110 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -1.8910 -1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -1.9160 -1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -0.4900 -2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -0.4690 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -1.3010 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -2.1770 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 -3.0450 0.3730 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 2 0 0 0 0 11 29 1 0 0 0 0 M CHG 1 29 -1 M END