MDPI-ZINC03843899 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5240 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8180 -0.5540 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.4100 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 0.3210 -0.3800 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3950 1.3810 -0.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -0.2950 -1.5880 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4840 -1.2250 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -0.6130 -1.2980 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4080 -1.7210 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -0.1370 -2.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -0.4550 -1.5060 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4640 -0.4820 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8740 0.5750 -1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6880 1.3980 -1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 -1.7370 -1.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 0.7090 -2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5860 0.9140 -2.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4920 0.7180 -2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 0.2890 -0.6520 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7740 -1.0940 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6820 -1.4620 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6770 -0.3600 -1.9540 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3300 -0.7140 -2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9510 0.9010 -2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4840 -0.0570 -0.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 1.2760 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 1.9000 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 1.8860 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 1.8740 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.0200 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -1.6140 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 0.1180 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 -1.4150 0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 0.9200 -2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -0.7260 -3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5250 -1.4920 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 0.2050 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 2.1340 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 -1.7960 -2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 0.3100 -3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6580 1.6560 -2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 1.2390 -3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3540 -1.0960 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9790 -1.8380 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 -2.3680 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0640 -1.6760 -2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0500 1.0010 -3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3630 1.7850 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1390 0.6370 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 0.9740 1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 1.2790 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4290 2.2760 0.1410 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 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 3 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 25 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 M END