MDPI-ZINC03846439 MOE2007 3D CORINA 3.40 0006 02.08.2006 23 22 0 0 1 0 0 0 0 0999 V2000 0.0600 1.5910 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 0.0710 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -0.4760 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -2.0050 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -2.5520 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 -4.0750 -0.0530 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2670 -4.4950 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3080 -4.6160 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5780 -5.4010 0.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -4.5730 1.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 1.9600 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 1.9600 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 2.0160 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 -0.3210 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -0.2650 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 -0.0780 0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -0.1320 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -2.4020 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -2.3440 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -2.1690 0.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -2.1720 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -5.1490 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0010 -4.2400 -1.1300 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 23 1 0 0 0 0 10 22 1 0 0 0 0 M CHG 1 23 -1 M END