PUBCHEM-ZINC03142209 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3770 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 1.2150 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0350 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4160 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1790 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7140 1.5890 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 3.3970 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2380 -2.0770 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -2.8300 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -3.1770 -1.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -4.3160 -1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -5.1030 -1.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -4.5480 -3.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -3.0570 -3.6910 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -2.3410 -2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -1.2780 -1.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 -0.4880 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -2.5480 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -3.7420 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -2.2200 0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -4.6170 -4.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -5.4440 -3.3950 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 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END