PUBCHEM-ZINC05828508 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2060 -0.6870 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 0.0090 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 1.4060 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 2.0890 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1660 2.0890 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 3.5680 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0800 4.1610 0.0230 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1900 4.1930 0.0030 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6840 -0.7230 -0.0360 N 0 3 0 0 0 0 0 0 0 0 0 0 3.6910 -1.9410 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 -0.1070 -0.0420 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2950 -0.7720 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -1.1320 -1.4250 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7180 -0.2260 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0390 -1.7900 -1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1260 -2.9940 -1.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -1.6150 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -1.7660 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1730 -1.6840 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -0.1570 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1500 -1.0410 -1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 -2.0560 -1.9840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -2.9050 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9960 -1.5080 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 7 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 14 1 0 0 0 0 3 4 2 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 17 18 2 0 0 0 0 17 24 1 0 0 0 0 19 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 M CHG 1 8 1 M CHG 1 9 -1 M CHG 1 10 -1 M CHG 1 11 1 M CHG 1 13 -1 M END