MDPI-ZINC01719188 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1370 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4900 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -1.8700 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -2.6300 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0080 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.7540 0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 0.3340 4.1970 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3280 1.3920 3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -0.0070 5.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -0.0480 6.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -0.1420 5.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 0.0330 4.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6530 -0.0670 3.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0100 -0.3380 3.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6690 -0.5110 4.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9610 -0.4120 5.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0020 -0.7760 4.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 -0.4350 1.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9540 -0.2460 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.2150 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -2.3560 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -3.7080 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -2.9610 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 0.3700 5.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -1.0880 5.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 -1.0520 7.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 0.5110 7.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 0.0680 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4700 -0.5460 6.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5600 0.0140 4.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1640 -0.9940 0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5110 0.7500 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6190 -0.3500 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 0.6300 6.6120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7190 1.6140 6.4300 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 10 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 40 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 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 40 41 1 0 0 0 0 M END