IBS-ZINC04089175 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 26 0 0 1 0 0 0 0 0999 V2000 -0.0550 1.2860 0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 0.0290 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 0.2130 -1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 1.4100 -2.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 2.1420 0.0430 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3520 2.1410 -1.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 3.5940 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 4.8430 -0.7130 P 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 6.2170 -0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 4.3720 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 4.5430 -2.0510 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4030 1.5150 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 1.5810 2.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 1.8760 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 0.9700 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -0.4810 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.6640 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 3.6650 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0040 3.9490 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 3.7250 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6790 5.2750 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -0.8550 -2.5100 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9150 3.6670 -2.5330 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9500 2.5840 -2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 3.8810 -2.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 3.9490 -3.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 1.0000 -0.0280 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 23 1 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 M CHG 1 11 -1 M CHG 1 22 -1 M CHG 1 23 1 M CHG 1 27 -1 M END