MDPI-ZINC03849579 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 54 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5210 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 0.7490 -0.4950 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 0.0090 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 -0.4540 0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9830 -1.5440 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 0.0260 -1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7640 -0.5150 -1.2250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8080 -1.6120 -1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -0.1370 -2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -0.8650 -2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 -0.4370 -1.2960 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0290 -1.1350 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -0.5960 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2480 -1.7030 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2340 -0.1700 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 1.1780 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 1.3890 -0.2950 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7380 0.9590 -1.5060 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9770 1.6970 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8170 0.8390 -2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0800 0.3440 -1.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8790 0.6240 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6110 0.3020 0.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8980 2.8850 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2540 0.0840 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8980 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8820 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8720 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -0.1320 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -1.5870 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 1.0930 1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 -0.4020 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 1.1090 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -0.3680 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 0.9340 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -0.4650 -3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -0.6380 -3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -1.9420 -2.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0120 -0.9330 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -0.1590 2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 1.2630 1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2090 1.9920 1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 1.8070 -3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 0.1140 -3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 0.8780 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2110 -0.7280 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 3.4570 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4000 3.0620 -1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 3.1980 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7870 -0.1840 0.7660 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 14 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 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 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 2 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 M END