MDPI-ZINC03850237 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 73 0 0 1 0 0 0 0 0999 V2000 0.1570 1.7340 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 0.2200 -0.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9350 -0.0430 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -0.1060 -1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 0.6110 -2.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 0.1370 -4.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5050 -1.0060 -4.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.5730 1.1140 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6300 -0.2290 1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -0.2510 2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -1.5130 3.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -2.4270 2.6030 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6880 -2.0100 2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -2.1340 1.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8820 -2.7910 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7620 -2.1710 -0.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -4.2850 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0160 -4.5830 2.3450 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9120 -4.0750 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -3.8990 3.0470 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9990 -3.8790 4.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -4.7430 2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -4.2710 2.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -6.1980 3.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -6.8810 2.5550 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5780 -6.8950 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -6.1140 2.7120 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6680 -6.2570 4.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 -7.7120 4.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 -8.5520 4.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -8.3560 3.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5520 -8.2050 5.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -9.3050 6.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 -10.4770 5.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 -9.9410 4.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 -6.7440 1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -2.6950 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 2.0790 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 2.3070 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 1.9990 1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 0.1580 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 -1.1830 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 0.4930 -2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 1.6840 -2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 0.5810 2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 0.0390 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -1.2900 4.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -1.9310 3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -4.8330 0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9790 -4.5870 0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -6.2300 4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -6.7040 3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -5.7620 4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 -5.7410 4.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -8.1850 4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0490 -7.7060 5.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -8.8300 2.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -8.9060 2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -9.1260 7.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 -9.3980 6.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -11.3300 6.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -10.8020 4.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 -6.1610 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -7.7690 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 -6.7940 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 -2.4450 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -3.7860 0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -2.3050 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8230 0.9630 -4.9610 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 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 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 2 0 0 0 0 6 69 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 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 47 1 0 0 0 0 11 48 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 37 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 49 1 0 0 0 0 17 50 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 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 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 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 29 56 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 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 M CHG 1 69 -1 M END