MDPI-ZINC03848626 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3760 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 1.2200 -0.6820 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 0.0400 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 1.4190 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1870 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7150 1.6000 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6220 3.4040 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2470 -2.1640 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -2.8830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -4.2590 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -4.9370 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -4.2150 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -2.8390 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -6.4120 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -7.0390 -0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 -0.4800 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -2.3590 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -4.8150 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 -4.7380 -0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -2.2820 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -7.0650 -0.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -8.0310 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END