MMs01242644 MOE2007 2D CORINA 3.40 0006 02.08.2006 21 20 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 1.3127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4841 2.6072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 -1.3036 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3421 -2.3428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7262 -3.9016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -1.3127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 -0.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2579 1.2853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -0.0274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2012 1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1301 0.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2988 -1.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6301 -0.3944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8357 -2.3556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1062 1.0081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0936 -1.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7420 1.3219 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5158 -2.5889 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 2 0 0 0 0 3 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M CHG 1 20 -1 M CHG 1 21 -1 M END