MDPI-ZINC03845542 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 -1.5480 1.8340 2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5240 0.3200 1.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -0.2720 2.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -1.6090 2.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -2.2620 1.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -2.2790 3.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -1.5240 4.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -2.2100 5.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 -1.5160 5.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 -2.2230 6.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3240 -1.5510 7.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2390 -2.3190 8.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2200 -3.7210 8.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3610 -4.3490 7.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4420 -3.6870 6.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5310 -4.3820 5.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -3.6740 5.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -4.3220 4.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -3.6830 3.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -4.4750 2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5730 -5.7760 5.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 -6.4070 4.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -5.7620 3.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 -7.9120 4.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2260 -4.5270 8.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2330 -1.6630 9.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9630 -2.3340 9.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3300 -0.3190 9.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3300 0.2580 9.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2910 1.7830 9.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 2.2550 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3260 2.2780 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7540 2.0470 3.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -0.1020 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 0.1060 0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -0.4460 4.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 -0.4380 5.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -0.4740 7.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -4.4920 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -5.4950 3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -4.0110 2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 -6.2900 6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -8.2990 5.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -8.2380 3.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2890 -8.2890 4.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -4.6700 9.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3620 -5.4980 8.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1780 -3.9970 8.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1190 -0.0350 10.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3170 -0.1040 9.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5020 2.0760 8.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3030 2.1440 10.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0420 2.2160 10.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 19 2 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M END