MMs02123520 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 53 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 0.7506 -1.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2506 -1.2980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6506 -2.3373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2494 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0012 -2.5967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5012 -2.5961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2517 -3.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7517 -3.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5012 -2.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7506 -1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0040 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4000 1.0433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7506 -1.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2506 -1.2940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0012 -2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5012 -2.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2506 -1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7506 -1.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7494 1.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2494 1.3041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5023 -5.1941 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.0023 -5.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 -6.4928 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0390 0.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6005 1.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -0.6005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4494 -1.2987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0383 -1.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 -3.6376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0407 -3.1976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4016 -3.6362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3522 -4.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7012 -2.5942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8995 1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6231 -1.7056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9595 -2.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4016 -3.6322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1016 -3.6310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0995 1.0456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6998 0.5249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3510 -2.3309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2506 -1.2967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9988 2.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5984 3.6416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0995 1.0415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 48 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 49 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 48 52 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END