MDPI-ZINC03844306 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -1.7040 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 -2.1240 2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -1.3370 3.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3530 -0.2000 3.4670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 0.2330 2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -0.0700 -1.1200 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -1.9320 0.0050 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -0.0820 1.1640 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -2.2990 0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -3.0540 2.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -1.6570 4.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 1.1710 2.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -1.4280 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 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 6 7 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 13 21 1 0 0 0 0 M END