MDPI-ZINC04235200 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 -0.0910 0.3950 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 0.0260 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2880 0.2830 -0.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 0.8860 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 1.9420 0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 2.5170 2.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 2.0360 3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 1.0410 3.3160 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 0.4560 2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -0.6190 -1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 0.1490 -2.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -0.5460 -3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 0.1750 -4.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -0.4890 -5.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5820 -1.8750 -5.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0540 -2.6060 -4.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -1.9520 -3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -2.6770 -2.6550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -2.0770 -1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -2.7560 -0.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -4.0750 -2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -4.8170 -2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -6.1960 -2.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -6.8370 -2.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -6.1000 -3.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -4.7220 -3.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 1.4970 -2.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -0.4170 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 0.5640 0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 1.3030 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 2.2980 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 3.3330 1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 2.4840 4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -0.3600 2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 1.2540 -4.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 0.0690 -6.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 -2.3870 -6.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -3.6840 -4.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9140 -4.3170 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 -6.7740 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -7.9150 -2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -6.6040 -3.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -4.1470 -3.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 1.8490 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 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 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END