MDPI-ZINC04268183 MOE2007 3D CORINA 3.40 0006 02.08.2006 73 77 0 0 1 0 0 0 0 0999 V2000 0.9140 0.9430 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -0.5340 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -1.3340 0.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -0.9620 0.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -2.3760 0.1280 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0460 -2.8310 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -3.0110 -1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -4.4880 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -5.1560 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -4.3400 0.9980 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2500 -4.4290 1.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 -2.8240 0.7780 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4050 -2.5300 -0.0190 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3040 -3.1300 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 -1.1290 -0.5260 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3930 -1.2380 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3520 -0.2390 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6460 -0.9240 0.9630 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2190 -2.2000 1.7540 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5480 -1.9910 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 -3.0740 0.6010 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.6110 -4.5270 0.9830 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7180 -5.1090 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -4.9110 1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6900 -4.9700 1.7950 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3390 -4.1140 2.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4490 -2.7820 2.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 -4.1100 4.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7670 -4.6460 2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7780 -2.8670 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0880 -3.6680 -1.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3470 -1.5270 -0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3050 -0.9460 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4920 -0.0610 1.7200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 -0.4830 -1.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 0.4120 -2.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 0.6430 -2.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5970 1.1310 -2.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 -2.1520 2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -6.4350 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6270 -5.6390 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9880 1.0950 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 1.4000 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 1.4020 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 -2.9100 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.5530 -1.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -5.0040 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -4.5660 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -0.0640 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 0.7200 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2240 -6.0100 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3150 -4.6020 2.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 -3.7650 3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1340 -3.4420 4.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6060 -5.1200 4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7150 -5.6550 3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2840 -3.9950 3.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3110 -4.6640 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6500 0.0450 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7360 -1.4680 -1.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7700 0.7340 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 0.5570 -3.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 2.1180 -3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 1.2360 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -1.0740 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -2.5430 2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 -2.3620 2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -6.1540 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -6.9630 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -7.0850 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -6.3520 -1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4180 -6.1210 -0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -4.7870 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 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 12 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 21 22 1 0 0 0 0 21 30 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 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 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 62 1 0 0 0 0 38 63 1 0 0 0 0 38 64 1 0 0 0 0 39 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 M END