MMs01727769 MOE2007 2D CORINA 3.40 0006 02.08.2006 93 94 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 0.7584 1.2942 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4416 1.2942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 1.2845 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9999 -0.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2416 -1.3135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7416 -1.3038 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3416 -2.3431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -2.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4999 -0.0290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 2.5980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2167 2.5980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7455 3.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0322 5.1890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2433 3.9477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 5.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9814 6.5264 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8223 6.8370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5394 7.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0327 8.0411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7488 9.1175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4122 9.4143 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2607 10.2629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8725 9.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8039 10.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6046 7.7499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0852 7.6987 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4852 6.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0147 6.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3257 7.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3558 5.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6309 4.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4373 2.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9358 2.9446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7422 1.6798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2408 1.7457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 0.3491 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1547 4.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 5.2431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5123 2.6412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6984 9.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1905 9.2210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6811 10.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3616 10.9135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6347 11.7068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5942 12.9061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4676 6.7295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3866 5.5439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8194 4.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8728 5.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 4.5615 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3917 5.6007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2779 4.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1969 3.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6831 3.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 0.7773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9242 -0.7654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8650 2.3199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2167 -2.5903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0932 -1.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1066 1.0063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8957 2.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8957 4.6459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7331 6.1982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4331 10.1033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9834 6.7232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5447 5.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8836 1.8141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4896 4.0092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6951 -0.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8512 0.2963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1706 1.6379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5347 9.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7848 10.2645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8124 10.6654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0865 12.0266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6945 7.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5063 6.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9345 6.3063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9115 5.9072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3396 5.3238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1352 3.0197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5634 2.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3166 4.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7448 4.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6021 2.5965 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.6536 1.8614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3372 1.6481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5505 3.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2245 3.1728 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1136 3.6266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7707 2.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3354 2.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 56 1 0 0 0 0 1 57 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 4 5 1 0 0 0 0 4 58 1 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 59 1 0 0 0 0 10 60 1 0 0 0 0 10 61 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 62 1 0 0 0 0 16 17 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 65 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 66 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 41 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 67 1 0 0 0 0 32 33 2 0 0 0 0 32 38 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 34 35 1 0 0 0 0 34 69 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 72 1 0 0 0 0 41 42 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 42 43 1 0 0 0 0 44 45 1 0 0 0 0 44 75 1 0 0 0 0 44 76 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 47 77 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 50 78 1 0 0 0 0 50 79 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 90 1 0 0 0 0 53 54 1 0 0 0 0 53 80 1 0 0 0 0 53 81 1 0 0 0 0 54 55 1 0 0 0 0 54 82 1 0 0 0 0 54 83 1 0 0 0 0 55 84 1 0 0 0 0 55 85 1 0 0 0 0 55 86 1 0 0 0 0 86 87 1 0 0 0 0 86 88 1 0 0 0 0 86 89 1 0 0 0 0 90 91 1 0 0 0 0 90 92 1 0 0 0 0 90 93 1 0 0 0 0 M CHG 1 86 1 M CHG 1 90 1 M END