IFLAB-ZINC04158450 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 0 0 0 0 0999 V2000 0.1640 0.9400 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -0.5780 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0470 -1.2450 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -1.0810 -1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -0.5110 -1.6180 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6210 0.5760 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5980 -0.9050 -2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 -1.5630 -2.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 -1.0420 -0.3560 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -0.3280 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7180 0.8230 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 1.5270 0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0680 1.0870 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5150 -0.0580 2.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 -0.7640 1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9620 -1.9860 2.2010 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7800 -2.2290 2.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6520 -2.7490 2.8530 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1080 1.8580 2.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5160 2.9680 1.8020 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5640 2.2870 3.7640 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2110 1.0330 2.7980 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1360 1.4150 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 1.1870 -1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 1.2980 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -0.8260 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -0.9970 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -2.3260 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -0.8870 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 -2.1700 -1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -0.7560 -2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8700 -1.8910 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4070 1.1670 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1040 2.4220 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8290 -0.3990 3.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3200 -0.5260 -4.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -0.8020 -4.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 36 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END