MDPI-ZINC03847184 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 70 0 0 1 0 0 0 0 0999 V2000 0.2430 1.4480 -1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -0.0540 -0.8700 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4360 -0.3670 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 0.3910 1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 0.1850 2.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 0.3800 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -0.7170 -0.9510 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8850 -1.5780 -2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -1.0140 -3.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5140 -1.7990 -3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -0.7440 -2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 0.1060 -3.7740 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -0.2430 -4.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -1.3930 -4.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 0.7050 -5.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 -0.0400 -5.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9490 -1.1020 -4.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5540 -2.2700 -4.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 -3.2890 -3.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4380 -3.1710 -2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 -1.9800 -2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 -0.9390 -3.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3920 -1.9880 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -1.5110 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9340 -1.8100 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 -2.4110 1.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 -2.7380 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3720 -2.5340 0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0670 -3.2530 2.2740 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3260 -3.5670 1.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5520 -2.6840 3.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6320 -4.2360 -1.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 0.6580 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 1.7280 -1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 1.7450 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 1.9500 -0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -1.4400 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3510 -0.0550 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 0.0240 2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 1.4560 1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -0.8270 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 0.9030 2.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1540 0.1230 1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 1.3970 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -2.5740 -1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -1.6930 -2.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -0.1030 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9720 -1.6820 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 1.4580 -4.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 1.1990 -6.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4520 0.6760 -5.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5240 -0.5100 -6.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8310 -2.3730 -5.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3110 -4.1830 -4.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4540 0.0540 -2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -1.6120 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3510 -2.7750 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7610 -2.6640 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1820 -4.3080 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9980 -3.9690 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 -1.9680 3.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 -4.8450 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 0.5680 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 1.2390 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2010 1.1600 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.6600 -0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 11 1 0 0 0 0 2 66 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 6 66 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 33 1 0 0 0 0 7 66 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 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 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 M END