PUBCHEM-ZINC06068247 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 1 0 0 0 0 0999 V2000 -0.0460 1.2720 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -0.1820 0.1000 N 0 3 3 0 0 0 0 0 0 0 0 0 0.9790 -0.7170 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 -0.7920 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -1.2210 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -0.4840 -1.2160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8670 0.4410 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -1.3680 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -0.9820 -3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -1.8260 -3.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -3.0170 -3.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -3.3520 -2.1710 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6770 -2.5760 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9170 -4.5800 -1.6040 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2280 -0.8130 0.2010 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9380 1.7370 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 1.6670 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 1.4920 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 -0.0440 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.7100 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 0.1830 0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -1.5430 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7760 -0.8910 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 -2.3000 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -0.0450 -3.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -1.5560 -4.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 -3.6800 -3.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -2.8860 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 25 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 27 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 28 1 0 0 0 0 M CHG 1 2 1 M CHG 1 12 1 M CHG 1 14 -1 M CHG 1 15 -1 M END