MDPI-ZINC04204375 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 47 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.6140 1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6690 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.1190 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.6960 -2.5130 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8380 -2.2990 -3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -4.2220 -2.4420 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0320 -4.5020 -1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -4.7960 -3.8620 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8910 -4.4400 -4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -4.3320 -4.5380 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1180 -4.7290 -3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -2.8020 -4.5270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4770 -2.4060 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -2.3330 -3.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 -2.3390 -5.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -1.7500 -4.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 -2.5790 -6.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -4.8100 -5.9080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 -5.0580 -6.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4960 -4.8800 -5.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -5.5560 -7.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -6.2460 -3.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -6.8910 -4.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -6.2630 -5.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -8.3960 -4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0160 -4.7480 -1.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -4.8780 -0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -4.5630 0.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -5.4170 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -2.4460 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -2.4700 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -3.0500 -6.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -2.2810 -6.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 -5.6550 -8.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -4.8480 -8.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 -6.5270 -7.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -8.7830 -3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -8.7170 -4.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -8.7790 -5.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -4.5920 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -5.9400 1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 -6.1090 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 45 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 M END