PUBCHEM-ZINC05131975 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 24 0 0 1 0 0 0 0 0999 V2000 -0.1420 1.6120 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 0.0870 0.2510 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5970 -0.3380 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -0.5470 0.1580 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0140 -0.1320 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -2.0790 0.0300 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8790 -2.4980 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 -2.7230 -0.0810 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4580 -2.4560 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -4.2430 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -4.5620 -1.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -2.3230 -1.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -2.4030 -1.1520 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 -3.3870 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 -0.1920 1.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -0.2930 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -0.2070 1.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 0.3240 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 2.1450 0.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 2.2060 -0.9660 N 0 3 0 0 0 0 0 0 0 0 0 0 2.3570 2.2620 -1.9700 N 0 5 0 0 0 0 0 0 0 0 0 0 -0.6460 1.8970 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 2.0640 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -2.6940 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 -4.9540 0.7260 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 10 11 2 0 0 0 0 10 25 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 20 21 2 0 0 0 0 M CHG 1 20 1 M CHG 1 21 -1 M CHG 1 25 -1 M END