MDPI-ZINC03850853 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 25 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -1.8460 1.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -2.3730 2.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -3.7180 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -4.5280 3.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -5.8950 3.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4550 -6.5040 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -5.7330 1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 -4.3440 1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -3.0990 0.3320 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -6.7290 4.4050 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2630 -6.2010 5.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -7.9440 4.3180 O 0 5 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 0.1420 1.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 -4.0680 4.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -7.5810 2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -6.2080 0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 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 22 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 M CHG 1 13 1 M CHG 1 15 -1 M END