MDPI-ZINC03851451 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 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 0.7410 -4.6170 -1.8570 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 1.2820 -4.6900 -5.5670 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 2.5620 -2.3560 -5.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7220 -1.0330 -5.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -0.2730 -4.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 -0.4950 -5.8820 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 -1.3450 -4.5940 -1.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -4.7370 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -4.5570 0.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -5.1220 0.2390 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 4.6600 -1.3240 -6.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 0.0580 -6.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 0.1690 -5.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -4.5760 -4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -8.7240 -4.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -8.7570 -5.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -8.7980 -4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -5.2410 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -6.0630 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -4.3420 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4160 -4.8680 -3.8070 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 -4.6010 -2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 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 32 1 0 0 0 0 5 33 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 25 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 44 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 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 37 44 1 0 0 0 0 44 45 1 0 0 0 0 M END