MDPI-ZINC04266670 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 63 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 0.7810 -0.5890 1.2330 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3650 -0.3670 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -2.0980 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -2.0990 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -0.5740 -1.0940 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3380 -0.0250 -0.5830 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4990 0.9910 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 -0.0350 0.9580 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3110 0.9760 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 -0.9170 1.5470 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 -0.4580 2.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1170 -1.1940 3.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 -2.5070 3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6230 -2.9100 3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2210 -2.0100 4.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7770 -0.7040 4.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7200 -0.2800 4.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 0.9580 3.9070 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1040 0.9280 2.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3900 1.8580 2.6830 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 -0.8980 -1.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 -0.4270 -1.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5600 -1.1530 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.4670 -2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1670 -2.8590 -2.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 -1.9460 -3.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4670 -0.6390 -3.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2940 -0.2260 -3.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6550 1.0110 -3.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 0.9640 -2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 1.8860 -2.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -0.2590 -2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -0.5880 -0.1160 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 1.7180 -2.5700 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -2.6090 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -2.5720 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -2.6110 -1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 -3.2080 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9780 -3.9290 3.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0430 -2.3310 5.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2520 -0.0110 5.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3420 1.7460 4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 -3.1780 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5120 -3.8780 -2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8080 -2.2590 -4.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0450 0.0640 -4.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 1.8050 -3.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 0.8210 -2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -0.7040 -3.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 -0.6700 -2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8610 -0.2570 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3510 -1.6770 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -0.2480 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 21 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 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0 32 33 2 0 0 0 0 34 53 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 M END