MDPI-ZINC03851923 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 73 0 0 1 0 0 0 0 0999 V2000 -0.1020 1.9610 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 0.4550 -0.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6840 0.2290 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -0.2050 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -0.7810 2.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -0.0690 1.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 -0.6550 2.6210 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0410 -1.5780 2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -0.9580 2.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1740 -2.0610 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 -2.4010 0.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4850 -1.5260 1.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 0.2670 3.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2630 1.5900 3.5990 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0710 1.9230 2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 2.2450 4.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 -0.1160 4.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -0.1550 -0.3080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9390 -0.0310 -1.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 0.6270 -2.4630 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -0.7970 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9770 -0.6760 -2.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2900 -1.4570 -2.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0220 -1.3390 -4.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2670 -2.0800 -4.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.1000 -2.1110 -5.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8390 -1.5200 -6.3260 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3820 -2.9420 -5.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2290 -2.8980 -6.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5170 -3.7230 -6.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3450 -3.1490 -5.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5320 -3.2060 -3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2440 -2.3790 -3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1590 -4.6680 -3.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3270 -5.2510 -4.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1470 -5.1820 -5.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0400 -4.4220 -4.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8740 2.4020 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4980 2.4540 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 2.1990 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 0.4280 0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5290 -0.0420 1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5650 -1.2640 3.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 -2.9720 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -1.7680 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 -0.7030 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0330 -1.8510 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 -0.4120 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1780 0.3810 -3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 -1.0460 -3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 -2.5140 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9360 -1.0870 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 -0.2920 -4.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4070 -1.7290 -5.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5240 -2.5830 -3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4860 -1.8600 -6.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6470 -3.2850 -7.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1000 -3.6790 -7.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6300 -2.1120 -5.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2760 -3.7170 -4.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1280 -2.7990 -2.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6890 -2.3890 -2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4950 -1.3280 -4.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5900 -4.7250 -2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0680 -5.2640 -3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0690 -6.2930 -4.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0570 -5.7870 -5.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5700 -5.6080 -6.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4270 -4.8400 -5.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4400 -4.5100 -3.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 -3.5280 0.3270 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 18 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 2 0 0 0 0 11 71 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 28 33 1 0 0 0 0 28 37 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 36 1 0 0 0 0 30 58 1 0 0 0 0 31 32 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 M CHG 1 71 -1 M END