MDPI-ZINC04268073 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 0 0 0 0 0 0999 V2000 0.2160 1.8360 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 0.5170 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -0.1350 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 0.5300 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 1.8480 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3020 2.5020 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 -0.1030 -0.8490 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -0.4230 0.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7110 -0.9650 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 -0.1100 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 1.2930 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8810 2.1140 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1370 1.5410 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2800 0.1600 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1480 -0.6740 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2870 -2.0620 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1610 -2.8860 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8800 -2.3550 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -3.1690 0.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3880 -4.6630 -0.3180 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8580 -4.8600 -1.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3440 -4.9490 0.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5810 2.6210 -0.0750 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5780 1.8260 -0.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0850 3.7830 -0.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 2.3430 -0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -0.0040 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -1.1660 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 2.3660 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 3.5280 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 1.7640 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7780 3.1900 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2740 -0.2610 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2680 -2.5150 -0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -4.1230 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 -5.1220 -0.0620 O 0 5 0 0 0 0 0 0 0 0 0 0 10.8500 2.8470 1.3420 O 0 5 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 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 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 M CHG 1 36 -1 M CHG 1 37 -1 M END