MDPI-ZINC01871564 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4650 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7130 -0.4880 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 0.2480 2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 0.1790 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 0.4430 3.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1160 0.8330 4.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 0.9930 5.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 0.7820 4.9910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6980 0.3960 3.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5470 0.2250 2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 -0.1420 1.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -0.3540 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -0.1660 1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 -0.5100 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -0.4750 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8420 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8260 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8160 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -1.5590 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -0.2990 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 -0.2350 3.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 1.2890 2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 1.0000 5.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 1.2940 6.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 0.9230 5.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6820 0.2340 3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 -0.0440 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -1.5920 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -0.0970 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -1.5650 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 -0.1130 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 M CHG 1 2 1 M END