MDPI-ZINC04268360 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 73 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.6140 1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6690 -1.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.1190 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.6960 -2.5130 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8380 -2.2990 -3.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -4.2220 -2.4420 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7410 -4.6170 -1.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -4.7960 -3.8620 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8910 -4.4400 -4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -4.3320 -4.5380 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1180 -4.7290 -3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 -2.8020 -4.5270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4770 -2.4060 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -2.3330 -3.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -2.3630 -5.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6440 -0.9450 -5.2490 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7430 -0.5760 -5.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 -0.6260 -6.1260 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7520 0.3790 -6.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1690 -0.7730 -5.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9190 -0.1090 -5.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 -0.5160 -3.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -0.3140 -3.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -0.3630 -3.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 -2.2440 -5.6600 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1540 -2.8950 -4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -2.5440 -6.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 -1.6480 -7.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -1.6350 -8.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -2.7590 -9.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7090 -2.8920 -10.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -2.0950 -10.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0140 -4.0360 -11.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -2.3940 -5.7870 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4990 -3.5760 -5.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7790 -4.4560 -5.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 -3.8040 -5.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -4.8030 -5.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -6.2460 -3.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -6.8910 -4.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -6.2630 -5.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -8.3960 -4.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -4.5940 -1.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -4.7370 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -4.5570 0.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -5.1220 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -2.4460 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -2.4700 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 -0.4950 -3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 -0.1430 -2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -3.3800 -7.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -1.7100 -8.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 -0.7040 -9.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -4.8920 -11.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 -3.7330 -12.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0650 -4.3090 -11.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4650 -2.9040 -5.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3870 -4.0370 -4.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1780 -4.6360 -6.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 -4.5450 -6.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -8.7240 -4.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -8.7570 -5.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -8.7980 -4.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -5.2410 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4530 -6.0630 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -4.3420 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 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 52 1 0 0 0 0 5 53 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 24 25 2 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 36 1 0 0 0 0 29 30 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 62 1 0 0 0 0 39 63 1 0 0 0 0 39 64 1 0 0 0 0 40 65 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 66 1 0 0 0 0 44 67 1 0 0 0 0 44 68 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 69 1 0 0 0 0 48 70 1 0 0 0 0 48 71 1 0 0 0 0 M END