PUBCHEM-ZINC05351798 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 30 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -0.6850 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0190 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 1.4250 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 2.0990 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 1.8290 -0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 2.7440 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4660 0.6970 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.3640 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 0.6730 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6260 -0.5440 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0040 -0.5600 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7160 0.6280 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 1.8390 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6670 1.8720 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7270 -1.8520 -0.0920 N 0 3 0 0 0 0 0 0 0 0 0 0 8.1030 -2.8980 -0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9450 -1.8690 -0.1040 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9070 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -1.7650 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.1790 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 -1.4730 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7960 0.6070 -0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6140 2.7620 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0130 3.0620 -0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 3.4070 0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 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 24 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END