MDPI-ZINC03843450 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0430 1.4600 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -0.0040 0.0040 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7190 -0.6530 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 -2.0310 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -2.7390 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -2.0160 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.6370 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1330 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -4.8020 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -4.1920 -2.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -6.2770 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -6.9730 -2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 -8.3500 -2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -9.0410 -1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -8.3580 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 -6.9810 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 1.8050 0.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 1.8390 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 1.8270 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.0960 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 -2.5560 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 -2.5280 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -0.0690 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -4.6210 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -6.4350 -3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 -8.8900 -3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 -10.1190 -1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -8.9030 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -6.4490 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 M CHG 1 2 1 M END