MDPI-ZINC03845063 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 33 0 0 1 0 0 0 0 0999 V2000 0.0310 1.6150 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.0920 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -0.4980 -0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9380 -0.0700 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 -2.0480 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 -2.5620 1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -4.0810 1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -4.5710 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -4.0830 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8910 -2.5640 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 -4.0790 2.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9200 -4.7270 3.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -0.0750 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 -0.5190 -2.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 1.9800 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 1.9630 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 2.0690 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -0.3320 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -0.1710 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -2.4800 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -2.3100 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -2.0680 2.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -4.5680 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -4.3650 2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1650 -5.6680 1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -4.5550 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 -4.3820 0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4050 -2.0860 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -2.2910 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7390 -4.4860 2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 -5.8100 3.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 -4.3640 4.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1450 0.6730 -1.1320 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 M CHG 1 33 -1 M END