MDPI-ZINC04235333 MOE2007 3D CORINA 3.40 0006 02.08.2006 75 79 0 0 0 0 0 0 0 0999 V2000 1.9890 -3.7190 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -2.3060 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -2.3440 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -2.9010 1.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 -2.7550 3.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -2.0480 3.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -1.4830 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -1.6220 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -1.1740 -0.0150 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8250 -1.5010 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -1.1680 -2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 -1.5800 -3.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 -1.1870 -4.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -1.6060 -5.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -1.2370 -7.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -1.6740 -8.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 -1.9590 -7.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8950 -2.5120 -8.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5420 -2.8570 -10.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 -3.4160 -10.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 -3.9070 -11.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4600 -4.3600 -12.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3960 -4.3170 -11.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0550 -3.8260 -9.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 -3.3670 -9.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 -2.8310 -8.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8990 -2.6380 -7.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8350 -4.8900 -13.4570 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9420 -4.9300 -14.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0600 -5.3200 -13.6730 O 0 5 0 0 0 0 0 0 0 0 0 0 4.1180 -1.6030 -10.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -3.9120 -10.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -0.3700 -7.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 0.5460 -6.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.3190 -5.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3950 -2.6100 -5.3380 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1200 -0.3880 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 -3.3570 4.4010 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8640 -4.0290 4.1750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -3.2190 5.6320 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3270 -1.6020 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -4.1820 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1470 -3.6680 -2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7800 -4.3140 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3920 -3.4530 1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -1.9390 4.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -0.9340 2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 -0.5920 -2.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -2.2050 -3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3940 -1.7880 -9.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 -1.7530 -6.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4390 -3.9390 -12.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4010 -4.6710 -11.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7920 -3.7960 -9.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8020 -3.5340 -6.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9530 -2.4520 -7.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4770 -1.7860 -6.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 -0.8740 -10.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8930 -1.8670 -11.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 -1.1740 -10.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 -3.5160 -9.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 -4.1670 -11.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -4.8060 -9.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 0.2360 -8.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -1.0010 -7.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 1.2020 -6.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 1.1460 -6.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -0.9490 -5.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 0.3240 -4.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 -0.3190 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 0.6130 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8100 -0.8720 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4420 -1.5480 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 -0.5950 -0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -2.1630 -0.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 1 0 0 0 0 2 10 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 47 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 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 49 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 17 18 2 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 24 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 M CHG 1 9 1 M CHG 1 28 1 M CHG 1 30 -1 M CHG 1 38 1 M CHG 1 40 -1 M END