PUBCHEM-ZINC05041842 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 2.2780 1.0340 -0.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -0.3700 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -0.7190 0.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.9450 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -2.7920 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -4.0380 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -4.4420 1.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -3.6020 2.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 -2.3530 2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 -1.5020 3.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -2.0170 4.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 -3.2220 4.6160 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 -1.1960 5.4540 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 -1.7240 6.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3600 -2.9400 6.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0210 -3.4590 7.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 -2.7680 8.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3730 -1.5550 8.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 -1.0250 7.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 0.1700 7.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 0.8300 9.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7380 -3.3290 9.9340 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3140 -4.3980 9.8420 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7440 -2.7220 10.9890 O 0 5 0 0 0 0 0 0 0 0 0 0 3.3300 1.0530 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 1.3010 -1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 1.7500 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -0.3880 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -1.0850 -1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -2.4800 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -4.6970 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -5.4160 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -3.9200 3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 -0.5430 3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -0.2390 5.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 -3.4820 5.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 -4.4060 7.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 -1.0180 9.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 1.0300 9.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 1.7700 9.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 0.1920 9.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 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 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END