MDPI-ZINC01559564 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 -0.1360 1.8000 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 0.3770 0.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -0.3490 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3730 0.2920 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -0.4440 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -1.8220 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -2.4690 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -1.7400 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -2.3790 0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7410 -2.6600 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9730 -1.8090 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 0.3020 0.0620 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2450 0.8270 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6070 1.4660 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7400 0.7050 1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9900 1.2890 1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1080 2.6410 1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9700 3.4020 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7220 2.8150 1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3370 3.2170 1.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6840 1.4640 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 2.5530 -0.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 2.2560 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 2.1100 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 2.1190 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 1.3710 0.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2350 -3.5480 0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -2.5620 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 -3.0550 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 -3.4890 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8750 -2.3660 0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 -1.5530 1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2710 0.0000 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 1.5660 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6480 -0.3470 1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8750 0.6940 1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0590 4.4540 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8350 3.4080 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6520 3.5730 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 -0.5820 -0.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7650 -0.7980 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8690 1.2890 -2.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 2.0640 -2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 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 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 0 M END