MDPI-ZINC03845396 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 48 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 0.2470 0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -1.8490 0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0260 -2.2790 0.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6320 -1.5400 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -2.4230 -1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -3.6270 0.7340 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5300 -4.3670 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6350 -3.4840 2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 -4.8350 2.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9870 -5.8170 2.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1830 -4.9640 4.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -6.2170 4.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7580 -6.3300 6.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -5.2070 6.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -3.9640 6.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -3.8360 4.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -4.0740 0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9330 -5.2660 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2530 -5.6760 0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 -4.8940 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8560 -3.7030 1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 -3.2950 1.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -3.1620 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5680 -2.7460 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 -0.7760 -2.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6240 -3.0760 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -2.8120 2.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -7.0940 4.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -7.2960 6.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -5.3020 7.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -3.0930 6.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -2.8660 4.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1820 -5.8770 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5330 -6.6070 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2460 -5.2140 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6080 -3.0920 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2550 -2.3660 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 -1.1280 -2.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -1.1970 -3.0590 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 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 20 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 33 46 1 0 0 0 0 46 47 1 0 0 0 0 M END