MDPI-ZINC03843991 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 0.2350 1.4420 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -0.0750 0.4550 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8220 -0.4380 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -0.7630 1.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3340 -1.1910 0.6210 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9650 -0.3040 0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2020 -2.2890 1.2170 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6290 -2.8790 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 -1.5730 1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 -2.4950 2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 -3.5850 1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9430 -4.4160 1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7670 -4.6860 0.7060 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5920 -5.3560 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8870 -5.3380 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7400 -4.4110 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8690 -4.0730 0.4560 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -3.1550 0.0830 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9260 -3.8620 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9880 -2.3140 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 -1.8830 -1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -1.6240 -0.6820 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7290 -0.4330 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 0.0940 -1.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -2.8360 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2150 -5.3860 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3020 -3.4350 0.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5060 -3.0560 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0940 -3.7460 1.4500 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1250 -1.7710 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 1.8000 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4140 1.9200 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 1.6870 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4510 -0.0430 2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -1.6180 1.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7210 -0.7640 1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 -1.1290 2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1500 -2.2440 3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5490 -3.8580 2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 -5.3570 2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -5.5390 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5070 -6.2890 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1530 -3.4910 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 -4.9010 -1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 -1.4310 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5410 -2.8970 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 -0.9710 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 -2.6680 -2.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -2.5560 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -3.1790 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -3.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -5.1950 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -5.7760 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9910 -6.1150 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8230 -0.9530 0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2110 -1.8630 0.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7900 -1.5670 -0.8510 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 4 1 0 0 0 0 2 23 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 27 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 M END