MDPI-ZINC04293109 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 75 0 0 1 0 0 0 0 0999 V2000 1.3460 1.3050 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -0.0750 -0.7120 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4160 0.0960 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -0.9520 -1.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -0.3610 -3.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -1.4190 -4.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -1.3760 -4.8920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -0.7150 0.6980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9820 -0.7530 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 0.1920 1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3210 -0.7210 2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -2.0750 2.5810 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3490 -1.9830 2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -2.1370 1.0290 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2790 -3.2930 0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -3.2550 -0.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -4.5020 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 -4.6210 2.4660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8170 -4.6470 1.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -3.3440 3.3300 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4850 -3.4040 4.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6080 -3.3370 3.9350 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3660 -3.2570 3.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -4.6030 4.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5770 -5.9150 4.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3570 -5.9640 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -5.9550 3.2810 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9370 -6.1820 4.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -7.4320 5.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -7.4430 5.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -7.1360 4.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -6.4790 6.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5610 -7.2470 8.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -8.5210 7.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -8.7550 6.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 -7.1390 2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -2.2240 4.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -2.2600 5.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -2.3370 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 1.2050 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 1.8310 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 1.9630 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -1.1090 -1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -1.9400 -1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -0.0400 -3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4340 0.5140 -3.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 0.8060 2.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 0.8740 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -0.3660 3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -0.7340 2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 -5.3820 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -4.4020 2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -4.5380 5.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 -4.5970 5.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -6.2760 3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -5.3210 4.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 -8.3360 4.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -7.4840 5.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 -6.9890 5.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -8.0230 4.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -7.4230 8.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 -6.7120 8.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -9.3640 8.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -8.3930 7.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -7.2930 1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -8.0900 2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -6.9590 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -1.4110 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -2.6840 -0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 -3.0680 0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -2.1890 -4.5600 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