MDPI-ZINC01704011 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 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 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5460 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -2.6690 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0280 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.7560 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -4.1790 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9870 -2.6270 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4460 -2.8520 -1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2840 -1.9670 -1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7030 -2.1420 -3.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3440 -3.1710 -3.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4820 -4.1430 -3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 -3.9790 -2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -4.9310 -1.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7590 -6.0050 -2.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2180 -6.1650 -3.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0720 -5.2590 -4.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 -7.2430 -4.3430 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3160 -7.3530 -5.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -6.9290 -1.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -6.7110 -0.4250 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 -2.3340 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 0.0290 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -3.7480 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -4.5010 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -4.4840 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -4.6370 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -3.5870 0.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7160 -2.0100 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6170 -1.0980 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7130 -3.2700 -4.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -4.8170 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 -5.3940 -5.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4040 -7.4060 -5.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0060 -6.4810 -6.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -8.2560 -6.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3520 -6.6860 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8210 -7.5200 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 -5.7620 -0.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 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 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 38 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 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END