PUBCHEM-ZINC04795544 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 24 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0290 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 3.5660 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0880 4.1600 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1970 4.1890 0.0030 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6880 -0.6940 -0.0360 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7340 -0.0700 -0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7040 -1.9120 -0.0420 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2290 -2.1860 -0.0200 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0270 -2.5410 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -2.6780 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -3.0600 -2.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9060 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -2.4320 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 -2.6920 -1.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 -2.6950 0.4640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8180 -2.3790 -0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -3.0160 -2.8330 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 17 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 13 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 19 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M CHG 1 10 1 M CHG 1 12 -1 M END