MDPI-ZINC01593597 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 43 0 0 1 0 0 0 0 0999 V2000 -0.2800 0.7700 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 1.5140 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 0.9750 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2510 -0.3070 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -1.0510 0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.5120 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 -0.8950 0.1370 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6290 -1.9850 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -0.2780 1.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2670 -1.0170 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 0.2440 -0.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4290 -0.2870 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3110 -0.2770 -2.2050 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4820 1.0170 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8790 1.3730 -1.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0160 2.1350 -1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7590 2.5440 -0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3670 2.1910 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2270 1.4340 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 0.7940 1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 0.4710 3.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 1.4550 4.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0900 2.7610 3.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 3.0840 2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 2.1020 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 1.1920 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 2.5160 -0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 1.5560 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -2.0520 1.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -1.0930 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2990 1.0530 -2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3250 2.4120 -2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6480 3.1390 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 2.5120 1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9180 1.1630 1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5500 3.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 1.2020 5.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6890 3.5300 4.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 4.1050 2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 2.3550 0.5500 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 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 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 2 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 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 M END