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 -0.1090 2.3690 -2.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 1.2340 -1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 1.6890 -2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 2.0540 -2.3620 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9500 0.8920 -1.6150 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.0110 1.1010 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7710 -0.3940 -2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 -0.2360 -3.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 -1.3510 -4.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0750 -1.2570 -5.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4380 -2.4050 -6.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8760 -2.2940 -7.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9720 -1.0540 -8.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6260 0.0980 -7.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 0.0120 -6.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8070 1.1630 -5.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 1.0320 -4.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 2.2260 -3.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2450 3.3300 -4.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 2.3860 -6.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7250 1.3050 -8.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 0.7270 -0.2470 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7560 -0.0740 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 0.3720 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -0.5680 0.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 1.9490 0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4090 1.7740 1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 3.2510 -1.5860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3210 1.7660 -3.7050 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 -3.7140 -0.6580 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3280 -1.1970 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5470 -2.3200 -4.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3690 -3.3780 -6.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1520 -3.1840 -8.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3220 -0.9920 -9.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7450 2.8210 -6.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5840 1.7350 -8.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 2.7480 2.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 1.1740 2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 1.2660 2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 4.0180 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 2.6640 -2.8640 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 1 0 0 0 0 2 4 2 0 0 0 0 3 47 1 0 0 0 0 4 5 1 0 0 0 0 4 26 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