MDPI-ZINC04293109 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 76 0 0 1 0 0 0 0 0999 V2000 0.5620 1.2070 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2610 -0.2470 -0.3870 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8180 -0.3940 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -1.1750 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -0.9410 -2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -1.8550 -3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -2.6160 -3.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -0.5680 0.9750 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9490 -0.3530 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 0.2380 2.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -0.7960 3.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -1.9710 2.8690 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5220 -1.6850 3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -2.0330 1.3380 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7320 -3.0250 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 -2.7260 0.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -4.4110 1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -4.4290 2.3670 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5420 -4.2600 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -3.3420 3.4190 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8930 -3.5960 4.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -3.3580 4.0560 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9700 -3.1720 3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -4.7280 4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 -5.8170 3.6200 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1220 -5.6370 2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -5.7940 3.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1100 -6.0240 4.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -7.3900 4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -7.4390 5.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6100 -7.1870 4.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 -6.4910 6.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -7.1080 7.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -8.4680 6.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -8.7220 5.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -6.8950 1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -2.3460 5.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -2.5080 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 1.3530 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 1.4350 -1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 1.8680 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -0.9670 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -2.2120 -1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -1.1490 -2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 0.0960 -3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9110 0.8590 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 0.8580 1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -0.4280 4.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -1.0710 2.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -5.1610 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 -4.5980 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -4.9100 5.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4540 -4.7460 5.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -5.9970 3.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -5.2420 4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -8.1720 3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -7.5470 5.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -7.2000 4.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 -7.9580 3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -7.2400 8.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -6.5090 7.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -9.2270 7.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -8.4020 6.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -6.8720 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -7.8660 2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -6.7320 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -2.2990 5.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -1.8750 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -3.5400 0.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -2.4480 1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 -1.8230 -5.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -2.4280 -5.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 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 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 5 45 1 0 0 0 0 6 7 2 0 0 0 0 6 71 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 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 16 2 0 0 0 0 15 17 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 20 1 0 0 0 0 18 27 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 24 1 0 0 0 0 22 37 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 36 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 71 72 1 0 0 0 0 M END