PUBCHEM-ZINC05515774 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0120 -0.4040 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -0.5500 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -1.9300 0.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -2.8520 1.4540 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -1.9370 -0.7760 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5640 -2.6970 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -0.5380 -1.2270 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1240 -0.6140 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 0.3240 -1.5230 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7860 0.5070 -0.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 0.8570 -2.6140 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6630 -2.2130 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0730 -3.6170 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -4.3240 -0.3280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 0.0860 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -0.6230 2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -2.1030 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.5040 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2760 -4.0820 -1.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4950 -4.9880 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END