PUBCHEM-ZINC05631688 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 25 0 0 1 0 0 0 0 0999 V2000 1.5480 0.2610 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 0.1030 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 0.8950 0.4240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -1.0100 -0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -2.3680 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -2.6770 -0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 -3.2040 -1.8860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -4.5870 -2.1640 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0720 -5.0800 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -4.6350 -3.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -4.3880 -2.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -5.2020 -1.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -3.1840 -2.6600 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 -2.9680 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 -2.5030 -3.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -5.3480 -2.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -4.5790 -3.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -0.5050 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 0.1900 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 1.2460 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -1.0700 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0660 -0.7420 -1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -2.9310 -2.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 -5.6180 -3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -3.9100 -3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 -6.6050 -2.9370 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 M CHG 1 26 -1 M END