MDPI-ZINC04268215 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 73 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.6140 1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6690 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -2.1250 -1.0960 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5600 -2.3870 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4030 -2.6340 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -2.7640 -2.3180 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1500 -3.0770 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -3.7780 -3.1550 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0040 -4.6420 -2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -2.8860 -3.5060 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8040 -2.6590 -2.2790 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4790 -1.8060 -2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 -3.7840 -1.9310 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7880 -3.2400 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8320 -4.2930 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 -4.8130 -1.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -5.3230 -2.8460 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5360 -4.2010 -3.1950 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0930 -3.3360 -3.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5350 -4.6440 -4.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -3.4080 -4.6840 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4380 -2.6260 -4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -3.7230 -5.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -3.5920 -7.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -3.2250 -7.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -3.9020 -8.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -6.4990 -2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -6.0560 -1.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -5.0030 -1.3400 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3180 -5.3880 -2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -4.6760 -0.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 -5.7920 -4.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -1.5470 -3.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.7220 -4.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -1.4680 -3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -0.4450 -3.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0220 -4.1980 -4.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7840 -5.2950 -4.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -5.8870 -3.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -5.7900 -5.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4150 -3.6020 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 -1.9340 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -2.3690 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 -2.9280 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5880 -3.8310 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -5.1120 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 -4.0080 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -5.6280 -1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 -5.0400 -5.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -5.3950 -3.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -3.0000 -8.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -4.2590 -9.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -4.6710 -8.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 -6.8920 -2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -7.2850 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 -5.4170 0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -6.5940 -3.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 -6.1600 -4.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 -4.9580 -4.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 -0.4960 -2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 0.4340 -3.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9250 -6.0260 -6.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 -6.6850 -5.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 -5.0160 -5.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 35 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 20 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 40 42 1 0 0 0 0 42 67 1 0 0 0 0 42 68 1 0 0 0 0 42 69 1 0 0 0 0 M END