MDPI-ZINC04261436 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 -2.3010 0.4850 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 0.2080 -0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 0.7540 0.5270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 1.5460 1.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 0.8380 2.9710 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3560 -0.1800 2.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 1.5980 4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 0.8750 5.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 0.8010 3.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -0.6790 -1.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -0.1520 -2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -1.0820 -3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -0.6050 -4.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -1.4860 -5.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3460 -2.8510 -5.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -3.3430 -4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 -2.4650 -3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -2.9490 -2.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -2.1290 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0320 -2.5990 -0.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3250 -4.3310 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -5.0440 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -6.4070 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6460 -7.0620 -1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -6.3550 -2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -4.9910 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3130 1.1810 -2.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 1.5610 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 0.0100 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 0.0840 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 2.5310 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 1.6520 1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 2.5850 4.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 1.7030 4.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 1.2990 6.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 1.6740 3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 0.4560 -4.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -1.1170 -6.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 -3.5360 -6.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -4.4070 -4.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -4.5330 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -6.9620 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -8.1280 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 -6.8690 -3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -4.4380 -3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 1.6960 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 M END