MDPI-ZINC04273478 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 0 0 0 0 0 0999 V2000 0.5250 1.2210 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -0.1930 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1310 -1.0040 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -2.3820 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -3.4750 0.8030 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.4660 2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 0.3450 3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 0.8430 4.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 0.5400 5.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -0.2630 4.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -0.7720 3.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -1.6380 2.6830 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2170 -1.9050 3.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -2.0820 1.5570 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2180 -0.6510 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -0.7660 -2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 1.2410 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 1.8560 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 1.5890 1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 0.5820 2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 1.4720 4.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 0.9330 6.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 -0.4960 5.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 0.2260 -2.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -1.3840 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -1.2260 -3.0050 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 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 3 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 20 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END