MDPI-ZINC04268167 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 68 0 0 1 0 0 0 0 0999 V2000 -0.2390 1.9580 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 0.4320 0.0580 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3500 0.0490 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 -0.0060 1.3150 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3660 0.7070 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 -1.4180 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -2.3780 0.6160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4660 -3.4000 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -2.2680 1.4230 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9860 -2.6190 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3230 -3.1960 0.9060 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1090 -3.7880 -0.4830 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1280 -4.2410 -0.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 -4.8460 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5630 -4.1640 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 -3.3790 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -2.5220 0.9510 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6340 -1.7140 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 -1.7740 2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 -0.5420 2.2480 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4800 0.2370 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -0.8030 1.5390 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5150 -0.1450 2.3600 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2100 -0.7600 3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 1.1490 2.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 1.1170 3.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7710 -0.0850 3.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 1.1720 5.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 2.3280 3.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -0.1720 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3980 -0.1390 -0.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0400 -2.4270 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -4.3120 1.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -2.7740 -1.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -4.3650 1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -2.1410 -0.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 2.3740 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 2.2400 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 2.3450 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 -1.3900 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -1.7860 2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -5.2780 -1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1650 -5.6510 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 -3.4860 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3370 -4.9290 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9120 -1.4410 2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -2.4040 3.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 2.0930 5.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 1.1480 5.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 0.3150 5.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 2.3010 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 2.3030 4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 3.2440 3.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9040 -3.0150 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 -1.8370 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7450 -1.7610 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6500 -5.1310 1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4440 -3.7560 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3330 -4.7140 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -3.0890 -2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -4.0080 2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9860 -5.1410 1.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -4.7740 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -2.2830 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 22 23 1 0 0 0 0 22 30 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 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 M END