IFLAB-ZINC02479577 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 1 0 0 0 0 0999 V2000 0.0820 1.3990 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 0.0060 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 -0.7020 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -0.0400 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 1.3550 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 2.0870 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 3.6010 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 4.1750 1.4980 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9110 3.8100 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 5.7170 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 6.2330 2.5810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1680 3.7250 2.1450 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 3.9080 1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 4.4060 0.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 3.3230 2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 3.2240 2.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3380 2.5740 3.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 2.0420 4.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 2.1670 4.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 2.8070 3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 3.0630 3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7150 2.7050 4.0720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3030 1.3460 5.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 0.9670 6.8200 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1420 -2.0650 0.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 -2.3270 0.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 1.9520 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8810 -0.5020 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2140 -0.6060 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2930 1.8690 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 3.9510 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 3.9740 -0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2900 3.6270 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 2.4710 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 1.7650 5.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 6.2960 0.4000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.5590 1.1920 5.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 36 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 23 24 1 0 0 0 0 23 37 2 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 24 -1 M CHG 1 36 -1 M END