MMs02308646 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 0.7579 -1.2944 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3579 -2.3337 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 -1.4842 -2.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2421 -1.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2579 -1.2853 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4579 -1.2853 0.0000 H 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 2.2421 1.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 0.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6063 1.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0356 -0.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1459 -3.0016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1854 -3.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2262 -3.9107 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4999 0.0274 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0158 -2.5798 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9802 -3.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6221 -3.6153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 -1.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 2 0 0 0 0 5 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M CHG 1 16 -1 M CHG 1 17 -1 M CHG 1 18 1 M END