PUBCHEM-ZINC02021143 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.5380 1.6250 -0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 0.1990 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -0.0490 -2.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 -0.8010 -0.4990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -2.1300 -0.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0920 -3.0820 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -4.3930 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -4.7660 -1.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -3.8090 -2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5620 -2.5000 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -4.2010 -4.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3340 -3.4470 -4.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 -5.2760 -4.2600 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2100 -6.1720 -2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -7.1290 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -8.5370 -1.5990 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5530 -8.8160 -2.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -9.4160 -0.7600 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5570 1.8730 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 1.7400 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 2.2920 -1.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -0.5980 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -2.7920 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -5.1310 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -1.7600 -2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 -6.4200 -3.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -6.8810 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 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 22 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 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 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 16 1 M CHG 1 18 -1 M END