MDPI-ZINC04701267 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 10.0690 1.7740 3.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3280 0.9430 4.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.1940 4.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9430 0.2810 2.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6960 1.1060 1.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7560 1.8520 2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 -0.5540 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 -1.5460 2.9580 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1530 -0.1260 1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 -0.9570 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 -2.4120 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7490 -3.2150 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 -4.5980 -0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 -5.1870 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2860 -4.4060 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 -3.0150 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5840 -4.9630 0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6040 -5.9780 0.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8330 -6.6630 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9640 -7.8480 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1810 -8.5340 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3050 -8.0600 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5020 -8.7820 0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6240 -8.3330 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5790 -7.1740 2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3950 -6.4370 2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2250 -6.8680 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9690 -6.1960 1.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8380 -5.0310 2.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3810 -5.2890 2.8980 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1530 -9.2730 1.2100 S 0 0 0 0 0 0 0 0 0 0 0 0 16.5700 -9.2670 2.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7560 -10.5830 0.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5440 -8.5320 -0.8320 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5600 -8.6650 0.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2580 -7.5110 -1.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8950 2.3540 4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5770 0.8750 5.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7060 -0.4600 4.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4950 1.1680 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3440 2.4900 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9960 0.9410 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -0.5310 -0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -2.7710 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0060 -5.2190 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 -6.2660 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0280 -2.4050 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2470 -9.4530 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5640 -9.6980 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4680 -6.8540 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9230 -4.7230 2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1910 -4.9730 3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4980 -4.7790 2.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9790 -8.4760 0.3090 O 0 5 0 0 0 0 0 0 0 0 0 0 9.0250 -9.8010 -1.3730 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 37 1 0 0 0 0 2 3 2 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 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 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 14 15 2 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 28 2 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 31 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 31 33 2 0 0 0 0 31 54 1 0 0 0 0 34 35 2 0 0 0 0 34 36 2 0 0 0 0 34 55 1 0 0 0 0 M CHG 1 54 -1 M CHG 1 55 -1 M END