PUBCHEM-ZINC03650149 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 30 0 0 1 0 0 0 0 0999 V2000 -0.6180 1.3530 -1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -0.1520 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.5560 -0.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9000 -0.0350 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -2.0880 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -2.6140 0.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 0.9800 1.8710 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6300 1.6440 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3750 0.5440 2.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 -0.1130 2.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6970 -0.4340 3.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7710 -0.0500 4.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6810 -1.1940 2.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4850 -1.4420 3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 -1.5260 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 1.7360 2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 1.1810 2.4220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 1.5810 -2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 1.8610 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 1.7710 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 -0.5220 -2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -0.6310 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -0.1410 3.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7400 1.4200 3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9440 0.5530 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2480 -1.0470 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 -2.5740 -1.4540 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6320 -0.2200 1.1950 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8100 -1.1380 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -0.0480 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4570 2.7430 3.3150 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 28 1 0 0 0 0 5 6 2 0 0 0 0 5 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 28 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 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 15 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 27 -1 M CHG 1 28 1 M CHG 1 31 -1 M END