MDPI-ZINC04268292 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 3 0 0 0 0 0 0 0 0 0 0 0.5370 -0.4140 1.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -0.4240 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3950 -0.5830 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 -0.9120 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3990 -1.0840 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 -0.9260 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -0.6010 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1110 -1.5020 0.0520 S 0 3 0 0 0 0 0 0 0 0 0 0 -6.0870 -3.3160 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6120 -1.1110 1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.0090 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -1.4970 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 0.0170 1.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -0.4490 -2.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 -1.0340 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 -1.0590 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -0.4820 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5600 -3.6780 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1100 -3.6930 0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5780 -3.6670 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4380 -0.0530 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6720 -1.3350 1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0290 -1.7110 2.4500 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 3 16 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 21 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 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 M CHG 1 2 1 M CHG 1 10 1 M END