PUBCHEM-ZINC02734786 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 0.2140 1.3390 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -0.0800 -0.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -0.6270 0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 0.1010 2.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -0.5540 3.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 -1.9500 3.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -2.6940 2.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -2.0230 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -2.8250 -0.0030 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9640 -3.6110 -0.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -2.7000 -0.3020 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1460 0.2880 4.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 1.4320 4.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 -0.2720 5.1870 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 0.4200 6.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -0.4340 7.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8630 -1.5820 6.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 1.7690 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1950 1.5980 -1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.7640 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 1.1870 2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -2.4750 4.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 -3.7790 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 -1.2000 5.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 1.3420 6.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 0.6870 7.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 0.1120 8.1540 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M CHG 1 27 -1 M END