PUBCHEM-ZINC06184877 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6040 -0.3640 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -0.5340 0.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8570 -0.1820 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -2.0640 0.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8790 -2.4250 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -2.5940 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -4.0180 0.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -2.5250 -1.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -0.0490 -0.9860 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.8600 -0.3630 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -0.4790 -1.2610 N 0 5 0 0 0 0 0 0 0 0 0 0 0.0410 -0.1580 -2.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3220 2.0200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3780 -2.1710 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3410 -2.3070 -0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -4.4230 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 -2.2410 -1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 2.9850 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 13 14 1 0 0 0 0 15 22 1 0 0 0 0 M CHG 1 11 -1 M CHG 1 13 -1 M END