MDPI-ZINC03850234 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 73 0 0 1 0 0 0 0 0999 V2000 1.2410 1.2900 -0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -0.1160 -0.5610 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4860 0.0240 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0300 -0.9030 -1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 -0.2400 -3.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -1.0870 -4.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -1.9400 -4.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.8290 0.7890 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0480 -0.8740 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 0.0190 2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -0.9420 3.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -2.2810 2.6340 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5610 -2.2160 2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -2.2690 1.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3400 -3.4070 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -3.3430 -0.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -4.6310 1.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -4.8240 2.4660 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6030 -4.8990 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -3.5680 3.3460 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6900 -3.6130 4.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -3.6970 3.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -2.9190 3.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -4.8960 4.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -6.2040 4.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9750 -6.3400 3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -6.1600 3.3050 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3640 -6.3030 4.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -7.5430 5.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -7.6000 5.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -7.4100 5.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -6.5800 6.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -7.2770 8.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -8.6100 7.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 -8.8900 6.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 -7.3530 2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -2.4550 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 1.2220 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 1.8620 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 1.8890 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1200 -1.0300 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -1.9060 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 0.0290 -3.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 0.6840 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 0.6130 2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 0.7160 1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -0.6580 4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -0.9160 3.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 -5.4960 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -4.5020 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -4.7230 5.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 -4.9250 5.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -6.3510 3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -5.4280 4.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 -8.4550 4.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0910 -7.5370 5.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 -7.3150 5.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 -8.3270 4.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -7.3760 8.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3680 -6.7270 9.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -9.4000 8.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6390 -8.5480 7.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -7.4470 1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -8.3140 2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 -7.2290 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6570 -1.5860 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -2.6100 -0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -3.3180 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8030 -5.3420 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 8 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 2 0 0 0 0 6 69 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 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 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 36 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 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 M CHG 1 69 -1 M END