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-2.5727 -3.8762 1.8934 C.2 1 UNL111111111 0.7171 19 C -2.5790 -3.8852 -1.9009 C.2 1 UNL111111111 0.7186 20 O -2.2581 -3.4061 -2.9523 O.2 1 UNL111111111 -0.4237 21 N -1.8118 -4.7978 -1.1349 N.am 1 UNL111111111 -0.5896 22 O -2.2473 -3.3850 2.9376 O.2 1 UNL111111111 -0.4211 23 N -2.0186 -5.0508 1.3240 N.am 1 UNL111111111 -0.5795 24 C -2.5636 -5.3300 0.0035 C.3 1 UNL111111111 0.2367 25 C -0.7571 -5.5641 -1.7895 C.3 1 UNL111111111 0.1881 26 C -0.7816 -5.6216 1.8319 C.3 1 UNL111111111 0.1883 27 N 0.4370 -5.1373 1.1956 N.am 1 UNL111111111 -0.5920 28 N 0.5842 -5.3547 -1.2689 N.am 1 UNL111111111 -0.5813 29 N -4.5468 3.1077 1.2559 N.am 1 UNL111111111 -0.5872 30 N -4.3135 2.8476 -1.2026 N.am 1 UNL111111111 -0.6151 31 C 1.0306 -5.8092 0.0396 C.3 1 UNL111111111 0.2368 32 C 1.4461 -4.3730 -1.8210 C.2 1 UNL111111111 0.7159 33 C 1.4000 -4.4456 1.9681 C.2 1 UNL111111111 0.7190 34 O 1.2667 -3.7817 -2.8477 O.2 1 UNL111111111 -0.4143 35 N 2.6462 -4.3809 -1.0639 N.am 1 UNL111111111 -0.5849 36 O 1.2053 -3.9162 3.0270 O.2 1 UNL111111111 -0.4294 37 N 2.6718 -4.6908 1.3926 N.am 1 UNL111111111 -0.5821 38 C 2.5728 -5.2998 0.0729 C.3 1 UNL111111111 0.2357 39 C -4.6557 3.6979 -0.0721 C.3 1 UNL111111111 0.2513 40 C -3.3911 3.5337 1.9511 C.2 1 UNL111111111 0.7278 41 C -3.0835 3.1905 -1.8077 C.2 1 UNL111111111 0.7232 42 O -2.6009 2.6632 -2.7694 O.2 1 UNL111111111 -0.4094 43 N -2.6143 4.3694 -1.1824 N.am 1 UNL111111111 -0.6061 44 O -3.0628 3.1786 3.0502 O.2 1 UNL111111111 -0.4443 45 N -2.8865 4.6603 1.2609 N.am 1 UNL111111111 -0.5827 46 C -3.4547 4.8014 -0.0732 C.3 1 UNL111111111 0.2484 47 N -0.3668 5.3662 -1.3851 N.am 1 UNL111111111 -0.5814 48 N -0.4714 5.0847 1.0752 N.am 1 UNL111111111 -0.5833 49 C 0.6719 4.5863 -1.9526 C.2 1 UNL111111111 0.7192 50 C -0.0160 5.8792 -0.0678 C.3 1 UNL111111111 0.2362 51 C 0.6136 4.5851 1.8409 C.2 1 UNL111111111 0.7157 52 O 0.5266 3.9920 2.8788 O.2 1 UNL111111111 -0.4164 53 N 1.8093 5.1017 1.2797 N.am 1 UNL111111111 -0.5812 54 O 0.6181 4.0146 -3.0059 O.2 1 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-1.5485 1.8116 C.2 1 UNL111111111 0.7235 74 C 5.7999 -1.3121 0.0758 C.3 1 UNL111111111 0.2520 75 C 4.5950 -1.7279 -1.9470 C.2 1 UNL111111111 0.7275 76 O 4.1445 -1.5563 -3.0468 O.2 1 UNL111111111 -0.4446 77 N 4.6437 -2.9617 -1.2563 N.am 1 UNL111111111 -0.5825 78 O 3.5012 -1.2878 2.7744 O.2 1 UNL111111111 -0.4102 79 N 4.2644 -2.8145 1.1883 N.am 1 UNL111111111 -0.6072 80 C 5.2103 -2.8332 0.0800 C.3 1 UNL111111111 0.2480 81 C -1.7268 5.2772 -1.8929 C.3 1 UNL111111111 0.1965 82 C -1.7301 5.3893 1.7525 C.3 1 UNL111111111 0.1905 83 C 3.8600 -4.0193 1.8967 C.3 1 UNL111111111 0.1975 84 C 3.9146 -4.1215 -1.7405 C.3 1 UNL111111111 0.1904 85 H -6.9782 0.6354 0.0258 H 1 UNL111111111 0.1339 86 H -6.7464 -1.8575 -0.1072 H 1 UNL111111111 0.1334 87 H -5.7510 -3.5072 1.7215 H 1 UNL111111111 0.1162 88 H -4.5607 -2.7203 2.8894 H 1 UNL111111111 0.1988 89 H -6.4297 2.2872 1.6183 H 1 UNL111111111 0.1158 90 H -5.1143 1.8800 2.8455 H 1 UNL111111111 0.1980 91 H -4.6517 -2.7509 -2.9359 H 1 UNL111111111 0.1980 92 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9 1 am 20 10 16 1 21 10 6 1 22 10 91 1 23 10 92 1 24 11 30 1 25 11 93 1 26 11 94 1 27 12 14 2 28 12 4 am 29 15 7 1 30 15 18 am 31 16 19 am 32 17 24 1 33 17 16 1 34 17 15 1 35 17 95 1 36 18 22 2 37 19 20 2 38 21 25 1 39 21 19 am 40 23 26 1 41 23 18 am 42 24 21 1 43 24 23 1 44 24 96 1 45 25 28 1 46 25 97 1 47 25 98 1 48 26 27 1 49 26 99 1 50 26 100 1 51 27 33 am 52 28 31 1 53 28 32 am 54 29 39 1 55 29 40 am 56 30 39 1 57 30 41 am 58 31 27 1 59 31 38 1 60 31 101 1 61 32 34 2 62 32 35 am 63 33 36 2 64 33 37 am 65 35 84 1 66 37 83 1 67 38 35 1 68 38 37 1 69 38 102 1 70 39 46 1 71 39 103 1 72 40 44 2 73 40 45 am 74 41 43 am 75 42 41 2 76 43 81 1 77 45 82 1 78 46 43 1 79 46 45 1 80 46 104 1 81 47 49 am 82 47 50 1 83 48 51 am 84 48 50 1 85 49 55 am 86 50 57 1 87 50 105 1 88 51 53 am 89 52 51 2 90 53 57 1 91 53 56 1 92 54 49 2 93 55 58 1 94 55 57 1 95 56 106 1 96 56 107 1 97 57 108 1 98 58 109 1 99 58 110 1 100 59 62 1 101 59 56 1 102 60 58 1 103 60 62 1 104 61 59 am 105 62 111 1 106 63 60 am 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