PUBCHEM-ZINC03160647 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 0.1780 1.5480 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 0.1000 0.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0990 -0.5400 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.4140 1.2730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2880 -0.0490 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 0.0300 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 -0.9080 0.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -1.9000 1.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 -2.6570 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5530 -2.1550 1.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 -4.1290 1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -4.8680 2.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -6.2450 2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -6.9200 1.7930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8610 -6.1780 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -4.7960 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 0.0260 0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 -0.8040 0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 1.6910 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 1.8610 -1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 2.2220 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 -2.2940 1.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1670 -4.3860 2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -6.8600 2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -6.7450 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -4.2840 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 1.2220 1.5370 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 20 1 0 0 0 0 1 21 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 8 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 M CHG 1 27 -1 M END