MDPI-ZINC03847660 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 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 0 0 0 0 0 0 0 0 0 0 0.7600 -0.5280 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -0.3850 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -0.9690 3.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -1.6980 3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -1.8450 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -1.2570 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -1.2830 -0.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.5230 -1.2110 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1640 0.3110 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -1.4210 -2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.6210 -1.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -0.5560 -0.0100 C 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 -0.3260 0.1860 2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1940 -0.8550 4.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -2.1550 3.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 -2.4160 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 -1.7370 -1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 -0.2130 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 -1.6460 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -0.2030 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 -0.8870 -2.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -1.5030 -3.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 2 14 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 18 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 26 27 1 0 0 0 0 M END