PUBCHEM-ZINC05027891 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 1 0 0 0 0 0999 V2000 0.2520 1.3740 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 -0.0070 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -0.6800 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 0.0370 -0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 1.4180 -0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.0860 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 2.1840 -1.5360 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9300 1.5960 -2.2060 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 3.4020 -1.5230 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2370 -2.0800 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -2.7730 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -2.1850 0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -4.1170 0.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -4.8700 0.3020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9220 -4.3800 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -6.3090 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -7.1630 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -6.3680 1.7740 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4880 -7.2230 2.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0550 -5.8650 1.5570 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5520 -4.9760 1.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 1.8990 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -0.5620 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -0.4840 -1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1660 0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -2.5510 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -4.5850 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -6.3100 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -6.7210 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9140 -7.1500 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8220 -8.1860 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -5.2120 2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -4.0570 2.1260 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 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 24 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 25 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 26 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 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END