MDPI-ZINC04293113 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 76 0 0 1 0 0 0 0 0999 V2000 -0.3430 1.4650 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.0200 -0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8820 -0.6190 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 -0.3070 -1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -0.0840 -2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -0.3670 -3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 -0.7110 -3.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -0.3780 1.2900 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7300 0.1280 1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 0.0100 2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.3020 3.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -2.1480 2.9010 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7080 -3.2030 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -1.8930 1.3930 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3220 -2.2960 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -3.0630 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 -1.7270 1.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 -1.9790 3.0860 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1740 -1.2820 3.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -1.5480 3.6160 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0190 -0.4430 3.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -1.7880 5.1160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8950 -1.6780 5.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -3.1840 5.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -3.5200 5.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0220 -4.5680 5.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -3.3760 3.4870 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2820 -3.6750 2.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 -2.7770 3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 -3.0100 5.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8380 -2.6290 5.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5180 -4.3740 5.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5900 -4.4170 6.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3530 -3.1620 6.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2410 -2.2580 5.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 -4.4500 2.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -0.7930 5.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -2.6490 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5650 2.0630 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 1.7190 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 1.6690 0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.3630 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -1.3400 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 -0.7540 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 0.9490 -2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 0.7020 3.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 0.4650 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -1.1280 4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -1.7680 2.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 -2.1860 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -0.6470 1.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -3.2490 6.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -3.9220 5.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5140 -4.7210 3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3320 -3.5430 1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3090 -3.0220 3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0920 -1.7310 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 -1.5840 5.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7910 -2.7620 6.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2250 -4.3230 7.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1940 -5.3160 6.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0530 -2.8290 6.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8580 -3.3180 5.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 -4.3210 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -5.4390 3.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -4.3530 3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -0.8930 6.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -2.4580 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -3.7180 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -2.3090 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.2360 -4.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -0.4280 -5.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 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 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 44 1 0 0 0 0 5 45 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 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 48 1 0 0 0 0 11 49 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 38 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 50 1 0 0 0 0 17 51 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 52 1 0 0 0 0 24 53 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 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 29 57 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 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 38 68 1 0 0 0 0 38 69 1 0 0 0 0 38 70 1 0 0 0 0 71 72 1 0 0 0 0 M END