IBS-ZINC04792689 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 26 0 0 1 0 0 0 0 0999 V2000 -0.1240 1.4160 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0750 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -0.2390 1.3250 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -0.4120 2.7080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 -1.1570 0.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 1.4270 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3120 1.9350 -0.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7250 1.4740 -1.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 3.9370 -0.5870 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4020 3.1590 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 4.9430 -1.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 5.2900 -1.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 4.5890 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 4.6920 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 4.7270 1.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7420 1.5940 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 1.9140 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -0.4730 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -0.6400 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 1.9910 1.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 1.4100 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 5.8670 -1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 4.4810 -2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2930 3.3910 -0.3010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 3.8160 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 5.1320 0.6400 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 24 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 26 -1 M END