MMs02534977 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 66 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 1.3011 0.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3052 2.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5981 1.1928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8992 0.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9033 2.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4972 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0215 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7942 1.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9469 -1.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4132 -1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1668 -0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1662 0.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5939 -1.5072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8909 -2.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8868 -3.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 -4.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1304 -6.0669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 -6.0710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0979 -4.6457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2928 -2.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2887 -3.7536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0041 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3052 -2.2464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6022 -1.4928 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3558 -2.7898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8486 -0.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8992 -0.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 1.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4931 0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4972 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2003 -1.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7901 1.5215 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5971 1.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5204 -0.2986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5971 -1.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2619 1.3464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5052 2.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3085 3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1052 2.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1928 -1.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7284 1.6535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2711 1.6492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 -1.5104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8182 -2.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0393 -2.9698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5081 -2.3207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1357 -1.2407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9722 0.3569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3044 -1.1342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0721 -2.4724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5306 -4.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4224 -7.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3331 -7.0438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 -0.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3885 -1.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3085 -3.4464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 1.3579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1887 2.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5381 -1.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2036 -2.6857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 20 21 2 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 61 1 0 0 0 0 32 33 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 M END