MDPI-ZINC04245646 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 0.4480 0.5420 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -0.9540 -0.2640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9510 -1.5040 0.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 -1.2860 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 -0.7220 -0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.2070 -0.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -1.3590 -1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -1.4960 -1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -2.2040 -2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 -1.8870 -2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -2.1260 -0.8120 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5930 -3.0830 -0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -1.0420 -0.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5240 -1.2410 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0350 0.2890 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 0.2080 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2270 -0.8880 -0.7270 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5140 -2.1720 -0.5460 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9780 -2.8850 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8430 -2.5890 0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3110 -2.1360 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5740 -1.1400 0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0130 0.0840 0.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3640 1.0610 1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5680 -1.5620 -0.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 -0.5020 -2.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 0.6830 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0120 0.9800 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 1.0290 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -0.9980 1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -2.5720 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8350 -0.5880 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 -2.2380 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3710 -1.6820 -2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -1.8830 -3.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -3.2800 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -0.8450 -2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -2.5410 -2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 1.0990 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 0.4700 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -0.0140 1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 1.1670 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 -3.6700 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -2.0740 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 -2.9720 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 -1.7530 2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6770 1.9350 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4320 -1.7360 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -0.1950 -2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 -1.3580 -2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 0.3230 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 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 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 22 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 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 3 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M END