MDPI-ZINC04293169 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 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 0.7420 -0.5110 1.2420 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 0.8510 -0.5890 -1.4900 S 0 3 0 0 0 0 0 0 0 0 0 0 2.4610 0.1090 -1.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 -0.5950 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7240 -0.0450 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 1.2060 -1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9940 1.9100 -1.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 1.3630 -1.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 0.2500 -2.5930 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 -1.5720 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5030 -0.5920 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9760 1.6340 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2040 2.8860 -2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 1.9110 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 0.0620 -3.4760 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 4 1 0 0 0 0 2 5 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 12 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 23 1 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 M CHG 1 5 1 M END