MDPI-ZINC03848628 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3900 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 1.1780 -0.6890 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 0.0170 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6280 -0.6550 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 0.0610 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 1.4550 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 2.1390 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3740 1.4340 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 2.1060 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3300 -0.7860 -0.0630 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2870 0.1150 0.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0860 -2.0770 0.4780 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7710 -1.0280 -1.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5190 -0.0730 -2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8650 -0.2640 -3.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4630 -1.4090 -4.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 -2.3640 -3.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 -2.1760 -2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2850 -3.5900 -4.4460 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5890 -3.7570 -5.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 -4.4310 -3.8620 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9090 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -1.7690 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6580 -1.7350 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 1.9990 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 3.2190 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 3.1860 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8330 0.8210 -1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4500 0.4830 -4.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7330 -1.5570 -5.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 -2.9240 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 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 26 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END