MDPI-ZINC04262735 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 56 0 0 1 0 0 0 0 0999 V2000 -0.7700 1.4500 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -0.0490 0.0550 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0140 -0.4150 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -0.2920 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 -1.7340 -1.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -2.2860 -2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -3.7840 -2.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -1.4500 -3.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.7170 -4.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 0.0870 -5.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 0.6990 -6.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 1.4420 -7.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 1.6080 -7.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 1.0380 -6.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 0.2850 -5.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -0.2350 -4.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8130 -1.3610 -3.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 -2.2680 -3.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -0.7590 -0.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -1.7250 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 -2.5440 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2710 -2.0220 1.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -1.2120 2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -1.5510 4.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -0.8900 5.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -1.2510 6.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -2.2600 6.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3240 -2.9040 4.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -2.5490 3.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -3.1400 2.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -3.1980 1.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -4.1850 1.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 1.9790 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 1.8160 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 1.6240 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 0.1520 -2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 0.1620 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -4.2160 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -4.0370 -3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -4.1830 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -0.7570 -4.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 0.5840 -6.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 1.9060 -8.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 2.1890 -8.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 1.1770 -6.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -3.3960 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7520 -2.9010 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -1.9270 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -0.3500 3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -0.0970 5.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -0.7470 7.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.5420 7.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0630 -3.6840 4.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 19 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 31 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 M END