MDPI-ZINC03847481 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 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 0.6060 -0.6080 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1560 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -0.4550 -3.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8390 -1.8300 -3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2790 -2.6000 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -1.9960 -1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -2.7560 -0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -4.1740 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 -2.5370 -4.3830 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7160 -2.9090 -5.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -0.3970 -5.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 0.4200 -4.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 -3.7150 -3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8650 -4.4970 -5.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0990 -4.1680 -5.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6070 -4.8840 -6.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 -5.9340 -7.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -6.2630 -6.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 -5.5480 -5.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3760 -6.6390 -8.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 -7.7080 -8.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2790 -8.3700 -9.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 -9.4310 -9.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7840 -10.0380 -10.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 -9.5840 -11.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7230 -8.5240 -12.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0700 -7.9190 -11.1570 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 1.1240 1.2340 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -3.6780 -2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -4.6590 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -4.4840 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -4.4600 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -0.6630 -5.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 0.1880 -6.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 1.2410 -4.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 0.8250 -3.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 -3.3400 -3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -4.3620 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 -3.3500 -5.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 -4.6250 -7.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 -7.0800 -7.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 -5.8060 -5.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 -8.4390 -7.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -7.3120 -9.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2950 -9.7860 -8.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4530 -10.8670 -10.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0870 -10.0580 -12.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5620 -8.1690 -13.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 -7.0930 -11.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -1.6210 -5.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 -1.4020 -4.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 55 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 55 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 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 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 55 56 1 0 0 0 0 M END