MDPI-ZINC04268194 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 1 0 0 0 0 0999 V2000 -0.8690 2.3860 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 0.9130 0.3770 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2700 0.8280 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 0.1810 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 0.5300 1.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -1.1340 1.7080 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4840 -2.2620 1.7340 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4510 -1.8770 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -3.4420 2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 -3.0690 3.9510 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0280 -3.9990 4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -2.8180 4.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -2.2210 6.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9010 -1.0970 6.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 -1.7500 5.3000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1660 -2.7680 5.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 -2.0300 3.8530 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1780 -0.8470 3.0580 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3050 -0.4340 3.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 0.3760 2.9210 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3600 1.2460 2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 0.4360 1.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0470 0.1470 0.3920 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5020 -1.3090 0.5420 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9290 -1.5310 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -2.2690 0.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7890 0.3200 -0.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 0.6210 4.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 1.8990 4.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 2.7830 3.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 2.2320 5.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 -2.7250 3.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -1.1060 5.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -1.5230 6.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6980 -2.4060 7.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4300 -0.8890 6.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -1.9400 4.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -4.1920 5.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -2.7260 0.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 2.8760 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 2.8540 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2890 2.4860 1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -3.9870 2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -4.1490 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -3.0040 6.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -1.8220 6.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -0.7190 7.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4530 -0.2980 5.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 -0.2920 1.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 1.4240 1.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1040 -2.3240 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 1.2360 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4110 1.3130 5.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 2.8830 6.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0200 2.7400 5.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2700 -3.4350 3.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -1.9780 2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -3.2550 2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0550 -1.0320 5.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9080 -1.3540 7.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 0.1770 6.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -0.9680 4.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -1.8060 5.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -2.4210 3.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -4.6440 4.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -4.0490 6.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 -4.8480 5.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 -3.4510 0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 9 10 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 39 68 1 0 0 0 0 M END