MDPI-ZINC03847380 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 1.0920 2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 1.8050 3.6550 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2380 2.8370 3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 1.0230 4.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 0.9410 5.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 0.1520 6.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -0.5180 7.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.4490 6.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 0.3320 5.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 0.5160 4.5150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 1.7300 3.6950 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4570 2.5870 4.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 1.7740 2.3860 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0370 2.8160 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0900 1.1520 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 1.0930 2.5360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.4470 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 1.3040 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 0.0170 2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 1.4660 5.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 0.0600 7.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -1.1140 8.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -0.9760 6.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 -0.0410 4.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 0.0660 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 1.4660 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 1.0720 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.5600 1.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 31 1 0 0 0 0 17 30 1 0 0 0 0 M END