MDPI-ZINC04293159 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 1 0 0 0 0 0999 V2000 -1.8650 -1.2010 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -0.3200 0.1700 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2510 -0.5980 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 1.1480 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 1.3730 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 2.8190 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 3.5890 -0.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -0.5150 1.2440 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2440 0.1740 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -0.2870 2.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -1.6280 3.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -2.6700 2.2720 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9550 -2.8340 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 -1.9800 1.2240 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3860 -1.9380 1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -3.3320 2.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -3.8460 3.2360 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0610 -3.1280 4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -3.9900 2.7470 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0080 -4.3570 3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -5.0200 1.6160 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1490 -4.6730 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -6.3620 2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -6.1880 2.5620 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1330 -5.8280 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -5.1920 3.7170 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7170 -5.6950 4.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -7.0410 5.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 -8.0550 4.2270 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5880 -9.0140 4.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0860 -7.5310 3.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 -8.2130 3.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -5.0260 4.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8110 -5.1820 1.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -2.6180 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -1.0040 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 -0.9760 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -2.2500 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 1.3980 1.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 1.7820 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 1.1230 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 0.7390 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 0.4920 3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -0.0030 2.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -1.6400 4.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -1.8070 4.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -1.5440 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4650 -1.2820 2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7790 -4.0030 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 -3.2800 2.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -6.7070 2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -7.0940 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 -4.9730 5.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -5.8170 4.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -6.9190 5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -7.3980 6.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 -8.2540 2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 -7.4060 3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -8.5290 4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 -4.3050 4.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 -5.9860 4.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6220 -4.6670 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -5.8210 0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -1.8990 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 -3.4990 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -2.9090 -0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3280 3.2500 -1.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 4.1850 -1.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 7 2 0 0 0 0 6 67 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 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 35 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 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 23 1 0 0 0 0 21 34 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 26 27 1 0 0 0 0 26 33 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 67 68 1 0 0 0 0 M END