MDPI-ZINC04268361 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 2.4740 -0.4820 -4.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 -0.6000 -5.7150 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3740 -1.3030 -6.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 0.8390 -6.2380 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9430 0.9120 -6.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 1.3420 -6.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 0.6830 -6.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 -0.5040 -6.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 1.6110 -4.9600 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6560 1.9850 -4.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2490 0.5800 -4.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9860 -0.6470 -4.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5300 -1.9130 -3.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3920 -1.5780 -2.7940 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9610 -2.6010 -2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7460 -3.7380 -2.4840 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8680 -2.3310 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 2.7060 -5.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3910 3.7890 -4.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 3.8220 -3.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2930 4.9650 -4.7700 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 2.8740 2.3070 -7.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 1.1260 -7.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8880 0.8130 -3.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 -2.5320 -3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1030 -2.4600 -4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2790 -2.3070 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6160 -3.1200 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3640 -1.3700 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9090 4.7530 -5.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 5.8510 -4.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 5.1400 -3.9070 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