MDPI-ZINC03852646 MOE2007 3D CORINA 3.40 0006 02.08.2006 20 21 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7980 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -2.1280 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.0800 -0.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.8210 -1.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -3.2350 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -4.4690 1.2910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -2.8240 2.8610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -1.5410 3.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.5500 2.4120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -3.6920 3.7030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.9320 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -5.1560 1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -1.3320 4.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -3.2470 4.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -4.5230 3.8500 H 0 0 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 6 1 0 0 0 0 3 4 2 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 16 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END