IFLAB-ZINC04158449 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 0 0 0 0 0999 V2000 -1.6730 0.6080 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 0.6110 0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4150 0.1360 2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 -0.2530 -0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -0.2690 -0.4710 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3320 -0.6300 0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 -1.2640 -1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4490 -1.3030 -2.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 1.0890 -0.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 1.6760 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 0.9180 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 1.5080 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9230 2.8950 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 3.6800 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 3.0740 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 3.9620 -0.8890 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8620 3.5380 -1.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5730 5.0990 -0.3950 O 0 5 0 0 0 0 0 0 0 0 0 0 7.1800 3.5340 1.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2660 2.7110 1.0540 F 0 0 0 0 0 0 0 0 0 0 0 0 7.5430 4.6480 0.3880 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0550 3.9350 2.3820 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 0.9850 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 -0.4020 1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 1.2490 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 1.6480 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -0.9230 2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4990 0.2710 2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 0.7090 3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -1.2850 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1480 0.1150 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 1.6340 -1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4960 -0.1690 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.8640 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 4.7640 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 -1.9430 -1.4020 O 0 5 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 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 36 -1 M END