MDPI-ZINC04262789 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.0130 1.0860 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5850 -1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 1.8000 -2.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 1.8160 -1.1600 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8290 1.6300 -2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 2.7140 -3.5650 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0800 4.0500 -2.9940 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9360 4.8460 -3.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 3.9270 -2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 3.4460 -3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7050 3.7330 -3.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5120 3.2960 -4.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8820 3.5970 -4.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6490 3.1580 -5.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0970 2.4100 -7.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7540 2.0960 -7.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9380 2.5410 -5.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5620 2.2510 -5.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7890 2.7100 -4.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3610 2.4180 -4.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 1.9650 -5.8050 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9920 1.5340 -6.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2240 1.3650 -8.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 4.3560 -1.7180 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6150 5.3010 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 3.2390 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 3.4760 0.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 4.4390 -2.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 5.3270 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 2.8000 -3.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 0.6500 -2.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 1.4370 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6700 3.2220 -1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9320 4.9020 -2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1460 4.3030 -3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3290 4.1760 -4.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7020 3.3940 -5.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7260 2.0720 -7.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6600 2.0730 -7.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 1.8950 -8.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 5.3340 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 6.3330 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 4.9920 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 1.9840 -4.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6880 1.1170 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 47 1 0 0 0 0 5 6 1 0 0 0 0 5 31 2 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 26 27 2 0 0 0 0 28 29 1 0 0 0 0 29 43 1 0 0 0 0 29 44 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 M END