MDPI-ZINC03847137 MOE2007 3D CORINA 3.40 0006 02.08.2006 74 78 0 0 0 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 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0400 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -2.8340 -1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 -4.1640 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4580 -5.3130 -1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -6.5220 -1.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -7.4200 -2.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -8.8090 -2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -9.5300 -0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 -9.0800 0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -9.8410 1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -9.0420 2.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -7.8020 2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -7.8850 0.8810 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -7.2230 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -6.6520 2.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -5.4030 2.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -4.5580 3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 -3.1830 3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -2.4310 2.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -2.8820 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4260 -4.1690 0.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -4.9620 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -5.3490 4.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -6.6360 4.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -4.8410 6.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -4.3360 6.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -3.8200 7.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -11.2790 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -12.1960 1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -13.6560 1.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 -6.6750 -3.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 -5.3750 -2.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -7.2290 -4.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -7.3130 -5.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -7.8770 -6.8630 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6090 -2.4770 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -9.3730 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -10.6020 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -9.3380 3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6640 -2.6470 4.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -1.3450 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -7.4810 5.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -4.0250 6.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -5.6500 6.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -5.1520 6.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -3.5270 5.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -3.0040 8.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -4.6290 8.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3250 -3.4610 8.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -11.4790 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -11.4670 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -11.9970 2.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -12.0090 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -13.8560 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7200 -13.8440 2.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -14.3100 1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -4.5520 -3.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -8.2250 -4.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9600 -6.5750 -5.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -6.3180 -5.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2440 -7.9680 -5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -7.2220 -7.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -7.9360 -7.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -8.8720 -6.7370 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 42 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 23 2 0 0 0 0 5 6 2 0 0 0 0 5 46 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 11 12 2 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 52 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 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 67 1 0 0 0 0 36 37 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 37 38 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 M END