MDPI-ZINC04293115 MOE2007 3D CORINA 3.40 0006 02.08.2006 81 84 0 0 1 0 0 0 0 0999 V2000 0.5280 1.4790 0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 0.0370 -0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5110 -0.6270 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -0.0720 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 0.2550 1.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 0.1480 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -0.1580 0.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 0.3920 2.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 0.2710 2.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -0.3640 -1.3590 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2500 0.1590 -2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -0.1260 -1.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -1.4420 -1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -2.1270 -2.5960 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4740 -1.5330 -3.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -1.8910 -1.5600 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7360 -2.3370 -2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -3.7110 -2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -4.4100 -2.5270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7790 -4.6220 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -3.5590 -2.9960 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8590 -3.5880 -4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 -4.2190 -2.5420 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1630 -4.3440 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -5.5910 -3.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -6.4620 -2.8460 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0770 -6.6110 -1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -5.7830 -3.2090 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6270 -5.6400 -4.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -7.0110 -5.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9600 -7.7550 -5.0220 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8760 -8.7870 -5.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -7.8260 -3.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1040 -7.1420 -5.6710 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4370 -7.6060 -6.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7930 -8.4950 -7.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6140 -7.0170 -7.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4220 -6.6390 -2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 -3.4210 -2.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3900 -3.4650 -2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3980 -4.1490 -1.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 -2.6640 -2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -2.5360 -0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 1.5560 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 2.1430 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 1.7650 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 0.6320 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -1.0860 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -0.4500 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 1.2690 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1400 0.4940 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0200 0.9720 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 -0.7460 1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 0.7010 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 0.0830 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 -1.2010 -2.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 -2.0390 -1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -2.3850 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1070 -1.5970 -2.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -4.3240 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -3.5850 -3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 -5.4330 -4.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 -6.0800 -2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -5.1560 -4.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -5.0250 -5.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -7.6050 -5.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -6.8660 -6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -8.2300 -3.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -8.5220 -3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5170 -7.5700 -7.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 -7.0840 -8.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 -5.9720 -7.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -6.1510 -2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3950 -7.6200 -3.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -6.7550 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 -1.6050 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3920 -2.8250 -1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9670 -2.9800 -3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -2.2910 0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -3.6180 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -2.1600 0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 9 53 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 54 1 0 0 0 0 12 55 1 0 0 0 0 13 14 1 0 0 0 0 13 56 1 0 0 0 0 13 57 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 19 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 33 1 0 0 0 0 28 29 1 0 0 0 0 28 38 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 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 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 43 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 M END