PUBCHEM-ZINC06091169 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3590 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 -0.4120 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 0.6530 -0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 1.7830 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8690 3.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1870 3.3140 -0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 4.5270 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 4.7620 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3680 5.9040 -0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8210 3.7310 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 -1.8250 -0.0240 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9140 -2.8040 -0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 -2.1000 -0.0380 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2030 -0.9090 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -1.3230 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -2.1810 1.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 1.9980 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 3.9060 0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0030 5.2690 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 2.8190 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7760 3.9000 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -0.3800 -0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -1.7970 -0.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -1.8520 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -0.4340 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 -2.4830 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END