MDPI-ZINC03847375 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -0.6190 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 0.1370 2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4900 3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 -1.8700 3.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -2.6300 2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0080 1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.7540 0.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5910 -2.5480 4.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -2.7980 5.4390 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1050 -1.8570 5.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3060 -3.3510 6.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 -2.7900 6.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -3.2620 8.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -4.3060 8.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 -4.8630 8.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -4.3870 7.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4710 -5.0330 7.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -4.1310 6.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 -4.7760 9.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -5.8490 10.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4190 -2.7090 8.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8960 -1.6420 7.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 1.2150 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 0.1000 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -3.7080 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -2.9610 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -3.4980 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3940 -1.9090 4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9320 -1.9800 6.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -5.6730 9.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -5.9930 6.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -5.1940 7.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -4.6720 5.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -3.2420 6.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 -5.5310 11.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 -6.7070 9.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -6.1280 11.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 -1.9980 6.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1780 -0.8210 7.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 -1.2920 7.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -3.7430 4.9730 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -3.3530 4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 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 46 47 1 0 0 0 0 M END