MDPI-ZINC03846315 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 30 0 0 1 0 0 0 0 0999 V2000 -0.7940 1.6100 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 0.1890 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 0.2270 1.1020 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2430 0.9950 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -1.1300 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 -1.6860 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 -0.5820 -1.1990 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6400 0.2750 -1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -1.2300 -2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -2.3940 -2.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -0.4310 -3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 -0.0370 -3.6480 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1080 0.6020 2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 0.0250 3.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -0.5800 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 2.2630 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 1.6010 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 2.0870 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 -1.0080 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -1.8440 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -1.9870 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -2.6020 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3050 0.6580 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -0.3180 -2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 1.1340 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 -0.6370 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 -1.6020 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 -0.0820 0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -0.2320 -4.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 1.4820 2.4800 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 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 29 2 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 M CHG 1 12 -1 M CHG 1 30 -1 M END