MDPI-ZINC04293111 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 75 0 0 1 0 0 0 0 0999 V2000 -0.0040 1.8760 0.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 0.3820 0.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0540 0.0880 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 0.1820 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 0.8430 -2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 0.2820 -3.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 0.2920 -3.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -0.4690 1.2500 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5960 -0.0750 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.2920 2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -1.6330 3.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 -2.4210 2.5890 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7770 -1.9520 2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -2.0230 1.0950 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0080 -2.5370 0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 -1.8170 -0.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3270 -4.0170 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -4.3770 2.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1820 -3.7570 2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0560 -3.9160 2.9200 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2280 -3.9350 4.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -4.9010 2.6500 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3490 -4.9650 1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2870 -6.3070 3.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -6.8340 2.3860 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2820 -6.8930 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 -5.8790 2.5340 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2950 -5.9730 3.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6390 -7.3970 4.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -8.3930 4.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -8.2770 2.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -9.7250 4.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 -10.3840 5.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -9.2690 6.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 -8.1770 5.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 -6.3300 1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -4.5330 3.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -4.0490 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -2.6130 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 2.2460 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 2.4830 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 2.0640 1.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 0.5790 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 -0.8820 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 0.6810 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 1.9250 -2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 0.4930 3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 0.0000 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -1.5020 4.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -2.0890 3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -4.6320 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 -4.1870 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4100 -6.2990 4.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 -6.9830 2.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1930 -5.3500 4.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5630 -5.5620 4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 -7.7490 3.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 -7.3670 5.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -8.8820 2.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -8.7390 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -10.8170 4.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -11.1790 5.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -9.4880 6.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -8.9910 6.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 -5.6270 1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -7.3180 1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 -6.3970 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -2.1160 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -3.6590 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -2.5270 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -0.1020 -4.5520 O 0 5 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 8 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 45 1 0 0 0 0 5 46 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 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 49 1 0 0 0 0 11 50 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 39 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 51 1 0 0 0 0 17 52 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 53 1 0 0 0 0 24 54 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 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 29 58 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 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 38 1 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 M CHG 1 71 -1 M END