PUBCHEM-ZINC01106666 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 0 0 0 0 0 0999 V2000 1.4070 1.9500 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 0.7430 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4410 -0.4160 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 0.0020 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.6660 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 1.3930 0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -1.7410 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -2.7000 -0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -1.9160 -0.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8730 -3.2140 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4070 -3.0560 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 -1.8490 -0.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 2.5350 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 2.6030 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 0.7510 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9950 0.6830 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7790 1.9090 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -1.1510 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -3.7970 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 -3.7280 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0630 -4.1300 -0.3760 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 17 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 M CHG 1 21 -1 M END