MDPI-ZINC04268162 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0150 -0.3930 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -0.5260 1.2270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7750 0.2140 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -1.8460 1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -3.0550 1.0230 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7700 -3.2900 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -2.7890 -0.4300 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1390 -2.4880 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -3.8560 -1.4320 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9210 -5.2710 -1.0970 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0710 -5.8770 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8440 -5.8680 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 -6.0290 -0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 -4.6790 -1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -3.9270 -2.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6630 -4.5490 -2.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 -2.5710 -2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -1.4470 -1.4950 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9570 -1.4400 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -1.4570 -0.6700 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1560 -0.7870 0.6780 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6650 0.1770 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -1.5740 1.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -0.5070 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -0.2160 -2.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1600 -0.1990 -2.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0240 -4.9890 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2310 -3.8770 0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -5.3640 -0.7650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -6.5180 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -7.4210 -1.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 -6.6890 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4670 -3.4600 -2.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -4.1870 1.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -4.9180 2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 -4.6260 3.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -6.1040 2.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 -1.9350 2.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -1.8680 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -5.2220 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -6.8480 0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -6.4490 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -6.7090 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3200 -2.6260 -2.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7290 -2.2980 -3.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 -1.1690 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -0.0580 -2.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 -5.6170 -2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4530 -4.0570 -2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7600 -5.5110 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 -4.4270 0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -2.9130 -0.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -3.7190 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 -6.3650 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7620 -7.7380 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 -6.0860 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -2.4840 -3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -4.2020 -3.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -3.4140 -2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -6.8270 1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -6.5700 3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -5.7740 2.5980 H 0 0 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 26 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 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 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 M END