@MOLECULE 118984380 784 795 1 SMALL USER_CHARGES @ATOM 1 S1 67.6474 96.5305 76.2565 S.3 1 noname -0.0918 2 S2 68.4096 96.6667 78.2311 S.3 1 noname -0.0918 3 S3 80.1841 98.8141 91.4988 S.3 1 noname -0.0918 4 S4 78.5455 98.0020 92.5547 S.3 1 noname -0.0918 5 S5 81.3673 92.8322 89.4547 S.3 1 noname -0.0918 6 S6 81.9203 92.5542 87.4303 S.3 1 noname -0.0918 7 O1 77.9519 103.9255 79.0787 O.2 1 noname -0.2876 8 O2 75.5437 104.5419 79.8123 O.2 1 noname -0.2899 9 O3 80.6777 103.1957 78.2192 O.3 1 noname -0.3911 10 O4 71.9014 105.9327 81.3587 O.2 1 noname -0.2900 11 O5 76.2313 100.8501 77.9903 O.2 1 noname -0.2898 12 O6 74.3937 103.0634 77.2192 O.2 1 noname -0.2899 13 O7 69.3931 105.1428 84.2659 O.3 1 noname -0.2139 14 O8 69.7159 106.8167 82.8067 O.2 1 noname -0.2495 15 O9 75.1994 101.5446 69.4394 O.3 1 noname -0.2861 16 O10 73.1519 99.8053 74.4068 O.2 1 noname -0.2899 17 O11 71.6234 95.6802 77.1957 O.2 1 noname -0.2911 18 O12 74.9213 93.7471 80.1878 O.2 1 noname -0.2902 19 O13 73.8949 90.7153 78.4606 O.2 1 noname -0.2900 20 O14 69.1496 90.9257 78.9779 O.2 1 noname -0.2911 21 O15 70.1519 85.6414 76.8173 O.3 1 noname -0.2189 22 O16 71.5809 86.3049 78.4201 O.2 1 noname -0.2559 23 O17 66.6527 92.9329 75.0819 O.2 1 noname -0.2899 24 O18 67.8356 92.4779 72.0745 O.2 1 noname -0.2899 25 O19 70.7578 89.7175 70.5592 O.2 1 noname -0.2900 26 O20 69.3650 89.0203 65.8992 O.2 1 noname -0.2899 27 O21 72.2140 84.5374 66.1996 O.2 1 noname -0.2900 28 O22 70.1865 89.2615 95.3261 O.2 1 noname -0.2899 29 O23 75.1602 90.2545 75.4116 O.2 1 noname -0.2900 30 O24 73.9000 91.0067 97.3725 O.2 1 noname -0.2899 31 O25 75.6285 90.4438 71.1138 O.2 1 noname -0.2899 32 O26 74.0815 86.5221 66.8941 O.2 1 noname -0.2901 33 O27 73.8758 86.2139 71.1539 O.2 1 noname -0.2900 34 O28 78.0113 92.8284 76.0324 O.2 1 noname -0.2899 35 O29 75.7607 94.6958 93.5427 O.2 1 noname -0.2900 36 O30 71.2593 91.2758 90.9331 O.2 1 noname -0.2913 37 O31 82.7175 96.6883 87.8157 O.2 1 noname -0.2899 38 O32 68.7464 100.2651 87.6215 O.2 1 noname -0.2900 39 O33 75.2794 100.2257 87.9985 O.2 1 noname -0.2900 40 O34 71.0010 99.3133 90.2839 O.2 1 noname -0.2900 41 O35 72.6033 97.5909 86.1599 O.2 1 noname -0.2899 42 O36 72.4635 82.4054 61.6616 O.3 1 noname -0.2861 43 O37 78.2081 93.3906 96.3782 O.2 1 noname -0.2900 44 O38 69.7294 97.2792 81.6365 O.2 1 noname -0.2896 45 O39 74.3081 87.1532 75.1851 O.3 1 noname -0.2189 46 O40 84.4657 100.9818 88.7756 O.2 1 noname -0.2893 47 O41 78.2195 100.0130 85.0669 O.2 1 noname -0.2893 48 O42 70.8310 96.7314 96.7764 O.3 1 noname -0.2189 49 O43 77.0535 95.3570 77.2871 O.2 1 noname -0.2893 50 O44 67.0092 98.6361 83.3935 O.2 1 noname -0.2899 51 O45 79.4514 100.5245 89.1604 O.2 1 noname -0.2896 52 O46 74.4374 85.3047 73.9100 O.2 1 noname -0.2559 53 O47 81.8656 102.2074 86.0458 O.3 1 noname -0.3941 54 O48 72.8123 97.7549 96.9129 O.2 1 noname -0.2559 55 O49 66.2588 103.5892 89.0979 O.2 1 noname -0.2900 56 O50 85.2459 102.2344 92.7486 O.3 1 noname -0.3941 57 O51 82.3535 97.6019 95.5324 O.3 1 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N14 68.3396 93.3046 85.4489 N.2 1 noname -0.2746 97 N15 68.7317 92.6332 75.9857 N.3 1 noname -0.0682 98 N16 69.1185 94.0277 73.1857 N.3 1 noname -0.0657 99 N17 69.8101 91.7640 70.1528 N.3 1 noname -0.0662 100 N18 70.5450 88.8595 67.8303 N.3 1 noname -0.0663 101 N19 70.7592 86.1560 66.9519 N.3 1 noname -0.0661 102 N20 72.3075 89.8540 95.3491 N.3 1 noname -0.0661 103 N21 76.4640 91.2075 73.7966 N.3 1 noname -0.0662 104 N22 73.5109 85.2141 68.6994 N.3 1 noname -0.0665 105 N23 71.0243 91.5869 93.1404 N.3 1 noname -0.0674 106 N24 75.8958 92.6088 76.7464 N.3 1 noname -0.0663 107 N25 74.7630 88.8672 72.5424 N.3 1 noname -0.0663 108 N26 74.2218 92.8000 96.1755 N.3 1 noname -0.0663 109 N27 74.7876 87.7367 69.7729 N.3 1 noname -0.0666 110 N28 76.3428 92.7046 94.4552 N.3 1 noname -0.0664 111 N29 71.3824 99.7688 88.0906 N.3 1 noname -0.0664 112 N30 77.6817 93.9175 78.9851 N.3 1 noname -0.0654 113 N31 84.8758 98.8073 89.2875 N.3 1 noname -0.0655 114 N32 67.1913 99.3907 81.2432 N.3 1 noname -0.0657 115 N33 77.1788 101.5599 86.3506 N.3 1 noname -0.0657 116 N34 75.1425 98.9356 86.1396 N.3 1 noname -0.0661 117 N35 73.0675 97.5146 88.3982 N.3 1 noname -0.0663 118 N36 82.1602 98.7394 88.6021 N.3 1 noname -0.0657 119 N37 68.9141 101.7356 89.3664 N.3 1 noname -0.0664 120 N38 78.8395 94.8927 94.9024 N.3 1 noname -0.0658 121 N39 80.1506 100.1644 87.0403 N.3 1 noname -0.0646 122 N40 70.0111 99.3697 80.7457 N.3 1 noname -0.0650 123 N41 84.1789 99.7159 91.8633 N.3 1 noname -0.0641 124 N42 66.3625 101.8312 87.6508 N.3 1 noname -0.0660 125 N43 66.4284 101.1034 84.5596 N.3 1 noname -0.0660 126 N44 68.1756 90.8764 92.0286 N.3 1 noname -0.3229 127 N45 80.8672 95.0163 91.8685 N.3 1 noname -0.0655 128 N46 80.7586 92.1925 79.9809 N.2 1 noname -0.2383 129 N47 83.0649 96.5527 92.9362 N.3 1 noname -0.0644 130 N48 77.2901 95.8722 80.7290 N.3 1 noname -0.0659 131 N49 80.1912 90.8541 81.6285 N.3 1 noname -0.0514 132 N50 83.0769 88.7004 84.3243 N.3 1 noname -0.0663 133 N51 80.6971 91.4707 84.6724 N.3 1 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C.2 1 noname 0.0554 153 C6 75.7510 104.4447 81.0446 C.2 1 noname 0.0494 154 C7 78.7616 101.7496 78.7762 C.3 1 noname 0.1137 155 C8 80.3052 101.9461 78.7915 C.3 1 noname 0.0755 156 C9 74.2167 106.3612 81.6077 C.3 1 noname 0.0878 157 C10 74.7734 107.7047 82.1789 C.3 1 noname -0.0288 158 C11 81.0506 100.8041 78.0655 C.3 1 noname -0.0369 159 C12 76.1324 108.1678 81.5917 C.3 1 noname -0.0501 160 C13 72.8492 106.1238 82.1536 C.2 1 noname 0.0495 161 C14 76.9561 101.4204 77.1408 C.2 1 noname 0.0501 162 C15 76.4326 101.7520 75.7956 C.3 1 noname 0.0918 163 C16 76.6146 109.4907 82.2572 C.3 1 noname -0.0408 164 C17 77.2007 100.9289 74.7168 C.3 1 noname -0.0035 165 C18 77.9821 110.0082 81.7492 C.3 1 noname -0.0076 166 C19 71.5111 106.3621 84.3235 C.3 1 noname 0.0971 167 C20 76.6635 101.0898 73.3373 C.2 1 noname -0.0660 168 C21 74.0399 102.1614 76.4205 C.2 1 noname 0.0495 169 C22 72.5911 101.7989 76.2722 C.3 1 noname 0.0918 170 C23 71.6032 107.7376 85.0353 C.3 1 noname -0.0397 171 C24 70.1713 106.1182 83.7388 C.2 1 noname 0.1439 172 C25 76.7385 102.3389 72.6763 C.2 1 noname -0.0475 173 C26 76.0716 99.9957 72.6618 C.2 1 noname -0.0475 174 C27 71.6774 102.6555 77.2199 C.3 1 noname -0.0035 175 C28 76.2441 102.4882 71.3678 C.2 1 noname -0.0312 176 C29 75.5776 100.1468 71.3526 C.2 1 noname -0.0312 177 C30 70.2003 102.4252 77.2262 C.2 1 noname -0.0541 178 C31 75.6645 101.3927 70.7037 C.2 1 noname -0.0019 179 C32 72.6719 99.4215 75.5012 C.2 1 noname 0.0495 180 C33 72.3415 97.9687 75.6729 C.3 1 noname 0.0918 181 C34 69.4978 102.1918 78.4358 C.2 1 noname -0.0567 182 C35 69.4497 102.5493 76.0350 C.2 1 noname -0.0567 183 C36 72.5389 97.1289 74.3707 C.3 1 noname -0.0035 184 C37 68.0978 102.0498 78.4485 C.2 1 noname -0.0604 185 C38 68.0459 102.4233 76.0472 C.2 1 noname -0.0604 186 C39 71.9058 97.5616 73.0853 C.2 1 noname -0.0541 187 C40 67.3719 102.1640 77.2511 C.2 1 noname -0.0616 188 C41 72.7670 96.1561 77.3717 C.2 1 noname 0.0478 189 C42 70.7831 98.4226 72.9966 C.2 1 noname -0.0567 190 C43 72.4643 97.0628 71.8876 C.2 1 noname -0.0567 191 C44 73.6853 95.4285 78.2957 C.3 1 noname 0.0766 192 C45 70.2524 98.7823 71.7417 C.2 1 noname -0.0604 193 C46 71.9916 97.4925 70.6370 C.2 1 noname -0.0604 194 C47 70.8603 98.3235 70.5624 C.2 1 noname -0.0616 195 C48 73.7331 93.5109 79.8650 C.2 1 noname 0.0485 196 C49 73.0219 92.4178 80.5838 C.3 1 noname 0.0878 197 C50 72.1164 93.0417 81.6812 C.3 1 noname -0.0276 198 C51 71.3921 92.0270 82.6158 C.3 1 noname -0.0382 199 C52 72.6758 90.7982 78.7404 C.2 1 noname 0.0493 200 C53 70.4366 92.7566 83.5915 C.3 1 noname 0.0024 201 C54 71.6634 89.9444 78.0802 C.3 1 noname 0.0883 202 C55 72.2391 88.8525 77.1266 C.3 1 noname -0.0195 203 C56 71.1360 87.8605 76.6472 C.3 1 noname 0.0354 204 C57 69.4479 91.0822 77.7740 C.2 1 noname 0.0477 205 C58 68.7895 92.1186 85.2798 C.2 1 noname -0.1456 206 C59 70.9808 86.5738 77.3551 C.2 1 noname 0.1348 207 C60 68.3322 91.5243 76.8558 C.3 1 noname 0.0766 208 C61 67.8524 93.2936 75.1466 C.2 1 noname 0.0489 209 C62 68.2555 94.4604 74.2885 C.3 1 noname 0.0976 210 C63 70.1061 92.5589 71.3356 C.3 1 noname 0.0901 211 C64 68.8558 95.5770 75.2392 C.3 1 noname 0.0280 212 C65 71.1290 93.7135 70.8991 C.3 1 noname -0.0227 213 C66 68.9417 93.0523 72.1963 C.2 1 noname 0.0497 214 C67 70.3005 90.2201 68.2542 C.3 1 noname 0.0880 215 C68 71.3302 91.1235 67.4770 C.3 1 noname -0.0265 216 C69 72.8789 90.9280 67.7211 C.3 1 noname -0.0451 217 C70 70.2982 90.5350 69.7315 C.2 1 noname 0.0494 218 C71 72.5504 93.4355 70.2710 C.3 1 noname -0.0608 219 C72 70.3587 94.5930 69.8811 C.3 1 noname -0.0608 220 C73 70.8596 87.1819 65.9649 C.3 1 noname 0.0918 221 C74 70.6966 92.6511 95.3918 C.3 1 noname -0.0201 222 C75 70.4664 91.4136 94.4567 C.3 1 noname 0.0903 223 C76 72.1123 84.8914 68.5188 C.3 1 noname 0.0880 224 C77 70.2106 88.3843 66.5737 C.2 1 noname 0.0495 225 C78 73.5515 90.5391 95.0865 C.3 1 noname 0.0901 226 C79 71.7913 83.4655 69.0727 C.3 1 noname -0.0265 227 C80 73.6811 92.1151 67.0882 C.3 1 noname -0.0627 228 C81 73.4972 89.5788 67.2580 C.3 1 noname -0.0627 229 C82 76.8036 89.9972 73.1215 C.3 1 noname 0.0901 230 C83 74.6532 89.4308 94.8413 C.3 1 noname -0.0227 231 C84 75.3257 92.6036 75.4590 C.3 1 noname 0.0880 232 C85 70.3185 83.2148 69.5617 C.3 1 noname -0.0451 233 C86 70.3388 86.8375 64.5269 C.3 1 noname -0.0035 234 C87 73.8139 92.9109 75.6548 C.3 1 noname -0.0265 235 C88 78.2379 90.0787 72.5093 C.3 1 noname -0.0227 236 C89 70.3237 92.4803 96.9039 C.3 1 noname -0.0516 237 C90 71.6471 85.1412 67.1377 C.2 1 noname 0.0494 238 C91 72.9886 93.0169 74.3542 C.3 1 noname -0.0451 239 C92 71.0106 90.1604 95.0423 C.2 1 noname 0.0495 240 C93 70.1363 93.9712 94.7834 C.3 1 noname -0.0605 241 C94 75.6434 91.2752 74.8757 C.2 1 noname 0.0494 242 C95 73.9053 91.4653 96.2089 C.2 1 noname 0.0494 243 C96 73.6021 88.4687 71.8253 C.3 1 noname 0.0883 244 C97 75.7038 89.7669 72.1664 C.2 1 noname 0.0494 245 C98 74.2101 93.7625 95.0962 C.3 1 noname 0.0883 246 C99 70.9190 85.6552 63.8220 C.2 1 noname -0.0660 247 C100 74.3696 88.6249 93.5339 C.3 1 noname -0.0608 248 C101 74.9047 88.4639 96.0483 C.3 1 noname -0.0608 249 C102 75.3832 86.7740 68.8854 C.3 1 noname 0.0850 250 C103 70.2161 81.8376 70.2887 C.3 1 noname -0.0627 251 C104 69.2255 83.3316 68.4542 C.3 1 noname -0.0627 252 C105 78.6077 88.7800 71.7322 C.3 1 noname -0.0608 253 C106 79.2569 90.3770 73.6506 C.3 1 noname -0.0608 254 C107 74.3065 86.1415 68.0677 C.2 1 noname 0.0492 255 C108 68.8383 92.1753 97.1743 C.3 1 noname -0.0650 256 C109 72.4932 88.0736 72.8670 C.3 1 noname -0.0195 257 C110 71.5456 93.3715 74.7031 C.3 1 noname -0.0627 258 C111 72.9648 91.6884 73.6007 C.3 1 noname -0.0627 259 C112 67.6403 98.1104 79.0943 C.3 1 noname 0.0280 260 C113 73.9199 95.1898 95.6737 C.3 1 noname -0.0195 261 C114 74.0665 87.4196 70.8865 C.2 1 noname 0.0492 262 C115 85.5010 97.0206 87.6705 C.3 1 noname -0.0201 263 C116 77.6101 92.6122 78.3848 C.3 1 noname 0.0933 264 C117 77.2070 92.6426 76.9770 C.2 1 noname 0.0495 265 C118 84.5282 98.2244 88.0143 C.3 1 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97.7090 86.8299 C.3 1 noname 0.0918 285 C138 83.0848 97.8465 88.1208 C.2 1 noname 0.0497 286 C139 87.0062 97.3234 87.8934 C.3 1 noname -0.0605 287 C140 78.2925 91.3086 94.2318 C.3 1 noname -0.0206 288 C141 69.4382 101.0153 88.3503 C.2 1 noname 0.0493 289 C142 75.3765 100.1328 86.7495 C.2 1 noname 0.0494 290 C143 71.3552 98.9042 89.1468 C.2 1 noname 0.0493 291 C144 71.7025 96.6442 90.1568 C.3 1 noname -0.0206 292 C145 80.7434 98.5384 88.6933 C.3 1 noname 0.0976 293 C146 69.4253 90.1543 91.7880 C.3 1 noname 0.0674 294 C147 67.5652 101.7257 89.8287 C.3 1 noname 0.0883 295 C148 75.3670 96.4905 86.0240 C.3 1 noname -0.0035 296 C149 73.4394 97.5817 87.0972 C.2 1 noname 0.0495 297 C150 72.8169 84.4962 62.7738 C.2 1 noname -0.0312 298 C151 70.6034 83.4934 62.6957 C.2 1 noname -0.0312 299 C152 69.2318 98.2749 81.0553 C.2 1 noname 0.0501 300 C153 78.2967 93.6767 95.1599 C.2 1 noname 0.0495 301 C154 71.6916 104.2364 88.1604 C.3 1 noname -0.0627 302 C155 69.5495 103.9067 87.0004 C.3 1 noname 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76.3972 97.4805 79.2058 C.3 1 noname 0.0675 341 C194 64.0990 101.8561 86.6745 C.3 1 noname 0.0452 342 C195 80.3421 89.8691 94.2606 C.2 1 noname 0.0325 343 C196 81.7967 89.3019 84.5332 C.3 1 noname 0.0880 344 C197 82.9473 96.0705 91.6620 C.2 1 noname 0.0504 345 C198 81.1863 88.8040 85.8728 C.3 1 noname -0.0265 346 C199 71.4859 94.4829 91.1524 C.2 1 noname 0.0325 347 C200 77.5821 95.8639 86.9989 C.2 1 noname -0.0475 348 C201 77.5012 97.0918 84.8872 C.2 1 noname -0.0475 349 C202 80.8281 87.3146 86.0377 C.3 1 noname -0.0451 350 C203 69.3415 101.6911 83.0998 C.2 1 noname -0.0660 351 C204 82.1761 94.4034 89.9019 C.3 1 noname 0.0280 352 C205 81.1171 91.7153 81.1776 C.2 1 noname -0.0514 353 C206 72.1052 100.6798 80.3249 C.3 1 noname 0.0463 354 C207 80.5358 92.8636 84.9263 C.3 1 noname 0.0976 355 C208 84.7064 97.2287 95.4960 C.3 1 noname -0.0369 356 C209 81.8678 90.7848 84.5613 C.2 1 noname 0.0495 357 C210 78.2897 95.7519 81.6314 C.2 1 noname 0.0483 358 C211 68.6988 102.5169 93.5049 C.2 1 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84.3340 79.6599 C.3 1 noname -0.0206 378 C231 71.1964 100.3773 84.0216 C.2 1 noname -0.0312 379 C232 71.6514 102.5066 82.9382 C.2 1 noname -0.0312 380 C233 87.4533 88.6483 83.8303 C.2 1 noname 0.0142 381 C234 83.3219 91.4240 77.3318 C.3 1 noname 0.0901 382 C235 84.3295 87.7290 76.7393 C.3 1 noname 0.0960 383 C236 72.1144 101.3426 83.5736 C.2 1 noname -0.0019 384 C237 84.7376 92.0473 77.6537 C.3 1 noname -0.0227 385 C238 85.1467 86.9435 77.7129 C.2 1 noname 0.0495 386 C239 85.9094 83.3563 80.4835 C.3 1 noname 0.0229 387 C240 83.1883 89.9418 77.1178 C.2 1 noname 0.0496 388 C241 84.9250 87.7146 75.3014 C.3 1 noname 0.0452 389 C242 87.9484 87.3548 83.9920 C.2 1 noname -0.0702 390 C243 85.8058 91.9695 76.5543 C.3 1 noname -0.0608 391 C244 85.3976 91.6334 78.9800 C.3 1 noname -0.0608 392 C245 82.6295 93.3994 75.8502 C.2 1 noname 0.0492 393 C246 85.4797 81.9588 80.3635 C.2 1 noname 0.0325 394 C247 81.6436 93.9501 74.8745 C.3 1 noname 0.0829 395 C248 89.5236 88.7709 84.4384 C.2 1 noname 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78.7517 102.2142 76.7559 H 1 noname 0.1319 416 H13 74.0337 108.4861 81.9810 H 1 noname 0.0287 417 H14 74.8842 107.6260 83.2640 H 1 noname 0.0287 418 H15 80.7653 99.8417 78.4926 H 1 noname 0.0257 419 H16 80.8120 100.7991 76.9999 H 1 noname 0.0257 420 H17 82.1306 100.9250 78.1784 H 1 noname 0.0257 421 H18 76.0165 108.3145 80.5156 H 1 noname 0.0268 422 H19 76.8807 107.3888 81.7604 H 1 noname 0.0268 423 H20 76.6058 102.8210 75.6273 H 1 noname 0.0569 424 H21 81.6493 103.2358 78.3410 H 1 noname 0.2105 425 H22 75.8666 110.2710 82.0878 H 1 noname 0.0279 426 H23 76.6927 109.3295 83.3369 H 1 noname 0.0279 427 H24 77.1775 99.8738 75.0087 H 1 noname 0.0337 428 H25 78.2534 101.2243 74.7000 H 1 noname 0.0337 429 H26 73.5027 106.2974 83.9995 H 1 noname 0.1319 430 H27 74.7446 100.8545 75.0669 H 1 noname 0.1319 431 H28 77.9338 110.2400 80.6831 H 1 noname 0.0425 432 H29 78.7628 109.2604 81.9198 H 1 noname 0.0425 433 H30 71.6410 105.6123 85.0970 H 1 noname 0.0575 434 H31 72.3029 102.0636 75.2494 H 1 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100.6677 69.1794 H 1 noname 0.2181 455 H52 67.6050 101.8808 79.3268 H 1 noname 0.0622 456 H53 67.5174 102.5325 75.1805 H 1 noname 0.0622 457 H54 66.3523 102.0700 77.2586 H 1 noname 0.0622 458 H55 70.3292 98.7873 73.8349 H 1 noname 0.0625 459 H56 73.2199 96.3721 71.9160 H 1 noname 0.0625 460 H57 74.5641 95.1259 77.7459 H 1 noname 0.0529 461 H58 74.0496 96.0803 79.0740 H 1 noname 0.0529 462 H59 69.4207 99.3739 71.6888 H 1 noname 0.0622 463 H60 72.4536 97.1759 69.7840 H 1 noname 0.0622 464 H61 70.4738 98.5788 69.6501 H 1 noname 0.0622 465 H62 72.1839 94.0484 78.7047 H 1 noname 0.1316 466 H63 73.7584 91.7661 81.0733 H 1 noname 0.0566 467 H64 71.3664 93.6779 81.2007 H 1 noname 0.0288 468 H65 72.7408 93.6742 82.3134 H 1 noname 0.0288 469 H66 71.2684 91.6357 79.8610 H 1 noname 0.1318 470 H67 70.7910 91.3314 82.0309 H 1 noname 0.0280 471 H68 72.1349 91.4601 83.1821 H 1 noname 0.0280 472 H69 69.6168 93.1855 83.0056 H 1 noname 0.0432 473 H70 70.9557 93.5761 84.1000 H 1 noname 0.0432 474 H71 71.1606 89.3996 78.8823 H 1 noname 0.0566 475 H72 72.6676 89.3590 76.2611 H 1 noname 0.0293 476 H73 73.0419 88.3033 77.6115 H 1 noname 0.0293 477 H74 70.2094 90.9373 84.5548 H 1 noname 0.1306 478 H75 70.9289 90.9665 76.4144 H 1 noname 0.1318 479 H76 70.1537 88.3425 76.6386 H 1 noname 0.0373 480 H77 71.3379 87.6252 75.6286 H 1 noname 0.0373 481 H78 68.2768 90.6644 76.1101 H 1 noname 0.0529 482 H79 67.2956 91.7345 77.4290 H 1 noname 0.0529 483 H80 68.4906 90.1995 85.7908 H 1 noname 0.1267 484 H81 67.2215 91.2640 86.1644 H 1 noname 0.1267 485 H82 67.5612 93.4515 85.9516 H 1 noname 0.1898 486 H83 69.6504 92.9094 76.0076 H 1 noname 0.1316 487 H84 70.0660 84.7576 77.2248 H 1 noname 0.2213 488 H85 67.3640 94.8957 73.8170 H 1 noname 0.0575 489 H86 70.5277 91.8694 72.0171 H 1 noname 0.0569 490 H87 69.9631 94.4798 73.1109 H 1 noname 0.1319 491 H88 69.4127 96.2932 74.6407 H 1 noname 0.0410 492 H89 69.5668 95.1392 75.9236 H 1 noname 0.0410 493 H90 71.3492 94.2893 71.7934 H 1 noname 0.0318 494 H91 69.2851 90.4742 67.9092 H 1 noname 0.0566 495 H92 71.1618 91.0103 66.4033 H 1 noname 0.0290 496 H93 71.0650 92.1559 67.6973 H 1 noname 0.0290 497 H94 69.2819 92.2351 69.4999 H 1 noname 0.1319 498 H95 73.0593 90.9372 68.7933 H 1 noname 0.0298 499 H96 70.9827 95.3650 69.4383 H 1 noname 0.0234 500 H97 70.0015 93.9922 69.0370 H 1 noname 0.0234 501 H98 69.5017 95.0628 70.3531 H 1 noname 0.0234 502 H99 73.0310 94.3933 70.0372 H 1 noname 0.0234 503 H100 72.3984 92.9280 69.3576 H 1 noname 0.0234 504 H101 73.2406 92.8738 70.9239 H 1 noname 0.0234 505 H102 71.0823 88.2929 68.4074 H 1 noname 0.1318 506 H103 71.9141 87.4461 65.8623 H 1 noname 0.0569 507 H104 71.7542 92.7814 95.4257 H 1 noname 0.0321 508 H105 69.3801 91.3279 94.3591 H 1 noname 0.0569 509 H106 71.6047 85.5933 69.1906 H 1 noname 0.0566 510 H107 73.4716 91.1230 94.1682 H 1 noname 0.0569 511 H108 72.0761 82.7117 68.3339 H 1 noname 0.0290 512 H109 72.4388 83.3078 69.9432 H 1 noname 0.0290 513 H110 74.7416 92.0658 67.3492 H 1 noname 0.0233 514 H111 73.5826 92.1000 66.0024 H 1 noname 0.0233 515 H112 73.3182 93.0851 67.4193 H 1 noname 0.0233 516 H113 74.5747 89.5730 67.4438 H 1 noname 0.0233 517 H114 73.3423 89.4033 66.1939 H 1 noname 0.0233 518 H115 73.0739 88.7490 67.8184 H 1 noname 0.0233 519 H116 76.8510 89.1699 73.8420 H 1 noname 0.0569 520 H117 75.6048 89.9354 94.6667 H 1 noname 0.0318 521 H118 75.7491 93.4120 74.8569 H 1 noname 0.0566 522 H119 70.0871 83.9763 70.3121 H 1 noname 0.0298 523 H120 69.2525 86.7351 64.5853 H 1 noname 0.0337 524 H121 70.5327 87.6974 63.8779 H 1 noname 0.0337 525 H122 73.7637 93.8827 76.1380 H 1 noname 0.0290 526 H123 73.3605 92.1679 76.3301 H 1 noname 0.0290 527 H124 78.2835 90.9168 71.8068 H 1 noname 0.0318 528 H125 70.1190 86.3095 67.6653 H 1 noname 0.1319 529 H126 70.5732 93.4067 97.4332 H 1 noname 0.0267 530 H127 70.9395 91.7053 97.3655 H 1 noname 0.0267 531 H128 73.3870 93.8342 73.7655 H 1 noname 0.0298 532 H129 72.4068 89.0081 95.8114 H 1 noname 0.1319 533 H130 70.0665 94.7588 95.5199 H 1 noname 0.0234 534 H131 69.1543 93.8190 94.3499 H 1 noname 0.0234 535 H132 70.8042 94.3181 93.9952 H 1 noname 0.0234 536 H133 76.8695 92.0264 73.4678 H 1 noname 0.1319 537 H134 73.9123 84.8151 69.4847 H 1 noname 0.1318 538 H135 73.2233 89.3174 71.2446 H 1 noname 0.0566 539 H136 71.8184 92.1411 93.0794 H 1 noname 0.1318 540 H137 73.4346 93.5543 94.3670 H 1 noname 0.0566 541 H138 75.3086 92.5754 77.5131 H 1 noname 0.1318 542 H139 75.7005 87.7508 95.8156 H 1 noname 0.0234 543 H140 74.0073 87.9002 96.3009 H 1 noname 0.0234 544 H141 75.2226 89.0037 96.9381 H 1 noname 0.0234 545 H142 75.1706 87.9041 93.3400 H 1 noname 0.0234 546 H143 73.4283 88.0785 93.6066 H 1 noname 0.0234 547 H144 74.3060 89.2943 92.6744 H 1 noname 0.0234 548 H145 75.8845 86.0024 69.4738 H 1 noname 0.0563 549 H146 69.2077 81.6719 70.6759 H 1 noname 0.0233 550 H147 68.2342 83.1319 68.8721 H 1 noname 0.0233 551 H148 70.9045 81.7947 71.1364 H 1 noname 0.0233 552 H149 70.4628 81.0237 69.6035 H 1 noname 0.0233 553 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71.7623 86.7054 74.2846 H 1 noname 0.0373 593 H190 76.9899 86.7507 67.4336 H 1 noname 0.0251 594 H191 76.1228 88.3016 67.5403 H 1 noname 0.0251 595 H192 77.2705 87.8339 68.8180 H 1 noname 0.0251 596 H193 72.9304 86.3448 63.7677 H 1 noname 0.0626 597 H194 69.0880 84.5882 63.6513 H 1 noname 0.0626 598 H195 78.7460 90.8229 77.9600 H 1 noname 0.0354 599 H196 79.5919 92.3956 77.8211 H 1 noname 0.0354 600 H197 84.4618 95.6499 86.3343 H 1 noname 0.0267 601 H198 86.1783 95.6067 86.2289 H 1 noname 0.0267 602 H199 75.5360 103.8845 84.6494 H 1 noname 0.0298 603 H200 71.0293 97.0862 88.1545 H 1 noname 0.0566 604 H201 72.1098 94.5780 96.7063 H 1 noname 0.0373 605 H202 73.4191 95.2384 97.7128 H 1 noname 0.0373 606 H203 76.0207 91.9164 94.9141 H 1 noname 0.1318 607 H204 75.4235 97.7007 87.7820 H 1 noname 0.0569 608 H205 71.6943 99.4324 87.2366 H 1 noname 0.1318 609 H206 87.5960 96.4445 87.6330 H 1 noname 0.0234 610 H207 87.1747 97.5770 88.9399 H 1 noname 0.0234 611 H208 87.3053 98.1613 87.2637 H 1 noname 0.0234 612 H209 77.7650 90.6663 93.5267 H 1 noname 0.0292 613 H210 78.1215 90.9167 95.2344 H 1 noname 0.0292 614 H211 77.9826 93.9153 79.9092 H 1 noname 0.1319 615 H212 85.1599 98.1999 89.9894 H 1 noname 0.1319 616 H213 70.7530 96.7923 90.6713 H 1 noname 0.0292 617 H214 72.4412 97.0245 90.8623 H 1 noname 0.0292 618 H215 80.4618 97.8424 87.9162 H 1 noname 0.0575 619 H216 69.4230 89.7515 90.7752 H 1 noname 0.0522 620 H217 69.4553 89.3708 92.5452 H 1 noname 0.0522 621 H218 67.2170 100.6935 89.9281 H 1 noname 0.0566 622 H219 77.2963 102.2514 87.0172 H 1 noname 0.1318 623 H220 75.1817 98.9016 85.1703 H 1 noname 0.1319 624 H221 67.0299 100.1404 80.6496 H 1 noname 0.1319 625 H222 73.7774 97.5169 89.0612 H 1 noname 0.1318 626 H223 74.9616 96.5365 85.0133 H 1 noname 0.0337 627 H224 75.0490 95.6165 86.5924 H 1 noname 0.0337 628 H225 73.8136 84.4630 62.5443 H 1 noname 0.0650 629 H226 69.9815 82.7382 62.3984 H 1 noname 0.0650 630 H227 82.4904 99.6061 88.8801 H 1 noname 0.1319 631 H228 71.4590 105.3001 88.1102 H 1 noname 0.0233 632 H229 71.3145 103.8258 89.0970 H 1 noname 0.0233 633 H230 72.7717 104.0980 88.1117 H 1 noname 0.0233 634 H231 69.4637 104.9930 87.0256 H 1 noname 0.0233 635 H232 69.0724 103.4840 87.8847 H 1 noname 0.0233 636 H233 69.0593 103.5241 86.1052 H 1 noname 0.0233 637 H234 79.4741 102.1337 87.2068 H 1 noname 0.0590 638 H235 69.5397 102.3066 89.8416 H 1 noname 0.1318 639 H236 85.1956 96.4586 84.1486 H 1 noname 0.0230 640 H237 84.4843 97.8290 85.0342 H 1 noname 0.0230 641 H238 86.2528 97.6742 84.9055 H 1 noname 0.0230 642 H239 76.8114 105.5399 86.0083 H 1 noname 0.0233 643 H240 76.3590 104.6900 87.5054 H 1 noname 0.0233 644 H241 74.4977 105.8827 85.5881 H 1 noname 0.0233 645 H242 73.3429 104.5349 85.4540 H 1 noname 0.0233 646 H243 74.0349 104.9598 87.0380 H 1 noname 0.0233 647 H244 77.4526 103.9121 86.3362 H 1 noname 0.0233 648 H245 86.1301 100.1915 91.2442 H 1 noname 0.0590 649 H246 78.3964 95.2354 92.8932 H 1 noname 0.0575 650 H247 65.8687 101.3595 82.6125 H 1 noname 0.0569 651 H248 80.0307 91.4769 92.9513 H 1 noname 0.0361 652 H249 80.2596 91.8910 94.7037 H 1 noname 0.0361 653 H250 66.5575 102.3101 91.6734 H 1 noname 0.0293 654 H251 67.8481 103.3937 91.1856 H 1 noname 0.0293 655 H252 79.0645 95.4278 95.6807 H 1 noname 0.1319 656 H253 71.3446 94.8046 89.0952 H 1 noname 0.0361 657 H254 73.0079 95.0228 89.7740 H 1 noname 0.0361 658 H255 79.2734 97.3784 89.7843 H 1 noname 0.0410 659 H256 80.8876 96.9578 90.1493 H 1 noname 0.0410 660 H257 78.4152 96.8106 79.2190 H 1 noname 0.0590 661 H258 80.5990 99.5491 86.4387 H 1 noname 0.1319 662 H259 65.4190 103.4567 86.8095 H 1 noname 0.0571 663 H260 82.4574 98.4601 93.1234 H 1 noname 0.0593 664 H261 78.8612 97.2167 94.8171 H 1 noname 0.0410 665 H262 80.3605 97.1735 93.9008 H 1 noname 0.0410 666 H263 69.5702 100.1623 80.4024 H 1 noname 0.1319 667 H264 67.6539 102.9533 82.9055 H 1 noname 0.0337 668 H265 67.9676 101.8785 81.6231 H 1 noname 0.0337 669 H266 80.2236 102.7037 84.9061 H 1 noname 0.0585 670 H267 80.8085 101.0573 84.7014 H 1 noname 0.0585 671 H268 83.2612 100.0329 91.8927 H 1 noname 0.1319 672 H269 66.6956 100.9330 87.5077 H 1 noname 0.1319 673 H270 66.3715 100.2828 85.0751 H 1 noname 0.1319 674 H271 68.2354 100.7154 92.5323 H 1 noname 0.0373 675 H272 69.5247 101.7538 91.7748 H 1 noname 0.0373 676 H273 83.9106 102.2782 91.1805 H 1 noname 0.0585 677 H274 85.6158 102.5357 90.7605 H 1 noname 0.0585 678 H275 82.6957 93.9844 91.9397 H 1 noname 0.0575 679 H276 78.3658 90.1919 80.7876 H 1 noname 0.0808 680 H277 67.3851 90.2417 91.8992 H 1 noname 0.1188 681 H278 68.0994 91.6542 91.3700 H 1 noname 0.1188 682 H279 71.8295 99.0317 81.7026 H 1 noname 0.0583 683 H280 83.6901 99.0820 95.1380 H 1 noname 0.0619 684 H281 75.4080 97.1050 79.4678 H 1 noname 0.0585 685 H282 76.6274 98.2795 79.9106 H 1 noname 0.0585 686 H283 80.2159 95.3643 91.2379 H 1 noname 0.1319 687 H284 63.4757 102.4008 85.9653 H 1 noname 0.0382 688 H285 63.8133 102.0556 87.7073 H 1 noname 0.0382 689 H286 82.8090 95.9484 93.6491 H 1 noname 0.1319 690 H287 76.4346 95.4686 80.9541 H 1 noname 0.1319 691 H288 81.1253 89.0098 83.7224 H 1 noname 0.0566 692 H289 80.3211 89.4161 86.1275 H 1 noname 0.0290 693 H290 81.9203 89.0460 86.6414 H 1 noname 0.0290 694 H291 77.1234 95.4317 87.8084 H 1 noname 0.0626 695 H292 76.9806 97.5592 84.1380 H 1 noname 0.0626 696 H293 81.6909 86.6998 85.7810 H 1 noname 0.0298 697 H294 80.2305 90.3634 82.4591 H 1 noname 0.1531 698 H295 81.7398 95.2152 89.3199 H 1 noname 0.0410 699 H296 83.2068 94.2951 89.5641 H 1 noname 0.0410 700 H297 81.9790 91.9688 81.6570 H 1 noname 0.1013 701 H298 73.4240 82.5342 61.5161 H 1 noname 0.2181 702 H299 71.6992 101.0114 79.3693 H 1 noname 0.0383 703 H300 71.7914 101.4494 81.0302 H 1 noname 0.0383 704 H301 75.1478 86.9308 75.6370 H 1 noname 0.2213 705 H302 81.3735 93.4444 84.5269 H 1 noname 0.0575 706 H303 85.6431 97.5250 95.0239 H 1 noname 0.0257 707 H304 84.5392 96.1637 95.3345 H 1 noname 0.0257 708 H305 84.7591 97.4301 96.5659 H 1 noname 0.0257 709 H306 70.3388 97.5780 96.7796 H 1 noname 0.2213 710 H307 83.5394 88.3354 85.0966 H 1 noname 0.1318 711 H308 85.0977 87.2202 83.8410 H 1 noname 0.0570 712 H309 79.5206 95.4383 87.6939 H 1 noname 0.0650 713 H310 79.3850 97.5385 84.0518 H 1 noname 0.0650 714 H311 79.8869 90.9394 84.6368 H 1 noname 0.1319 715 H312 82.4896 102.5234 85.3595 H 1 noname 0.2101 716 H313 77.3947 95.1156 83.4193 H 1 noname 0.0529 717 H314 77.5006 93.9042 82.2856 H 1 noname 0.0529 718 H315 80.2051 86.0523 87.6681 H 1 noname 0.0233 719 H316 79.6162 87.7290 87.7695 H 1 noname 0.0233 720 H317 81.3189 87.3601 88.1346 H 1 noname 0.0233 721 H318 79.4169 85.8338 85.3476 H 1 noname 0.0233 722 H319 78.7486 87.4781 85.4814 H 1 noname 0.0233 723 H320 79.8382 87.0670 84.1353 H 1 noname 0.0233 724 H321 79.5745 92.5533 86.8486 H 1 noname 0.0410 725 H322 80.3124 94.1197 86.6652 H 1 noname 0.0410 726 H323 85.1347 103.1920 92.9245 H 1 noname 0.2101 727 H324 69.1835 99.8510 84.1748 H 1 noname 0.0626 728 H325 69.9832 103.5036 82.1666 H 1 noname 0.0626 729 H326 80.6285 88.4237 95.6336 H 1 noname 0.1271 730 H327 79.8064 89.7647 96.2038 H 1 noname 0.1271 731 H328 85.6971 89.7468 84.2122 H 1 noname 0.0354 732 H329 86.1999 89.7944 82.6102 H 1 noname 0.0354 733 H330 69.8523 93.9881 92.2336 H 1 noname 0.1271 734 H331 69.5345 94.9253 90.8851 H 1 noname 0.1271 735 H332 82.4664 97.6819 96.5026 H 1 noname 0.2105 736 H333 77.2480 98.3824 77.6642 H 1 noname 0.2101 737 H334 80.1249 94.6477 83.0521 H 1 noname 0.1316 738 H335 86.3839 86.0121 79.9100 H 1 noname 0.0566 739 H336 85.9921 87.9328 81.2356 H 1 noname 0.1319 740 H337 83.9878 84.1086 79.8209 H 1 noname 0.0292 741 H338 85.2696 84.1303 78.6135 H 1 noname 0.0292 742 H339 71.5313 99.5289 84.4819 H 1 noname 0.0650 743 H340 72.3153 103.2178 82.6264 H 1 noname 0.0650 744 H341 82.7203 91.5918 78.2237 H 1 noname 0.0569 745 H342 83.7534 86.9591 79.1591 H 1 noname 0.1318 746 H343 83.3497 87.2449 76.6661 H 1 noname 0.0571 747 H344 64.1293 98.5863 87.3017 H 1 noname 0.1271 748 H345 64.7552 99.8388 88.2278 H 1 noname 0.1271 749 H346 84.5391 93.1134 77.7632 H 1 noname 0.0318 750 H347 69.2505 104.3035 94.3078 H 1 noname 0.2213 751 H348 85.8943 83.6523 81.5324 H 1 noname 0.0361 752 H349 86.9149 83.4690 80.0780 H 1 noname 0.0361 753 H350 71.2187 97.7278 77.8463 H 1 noname 0.2213 754 H351 81.2664 96.8174 84.8857 H 1 noname 0.2181 755 H352 85.0736 89.4887 77.5174 H 1 noname 0.1319 756 H353 85.0440 86.6838 74.9678 H 1 noname 0.0382 757 H354 85.8957 88.1938 75.4287 H 1 noname 0.0382 758 H355 75.3831 99.9453 80.5899 H 1 noname 0.1271 759 H356 74.0885 98.9421 80.9449 H 1 noname 0.1271 760 H357 81.8593 91.5600 75.8867 H 1 noname 0.1319 761 H358 87.4455 86.4755 83.8573 H 1 noname 0.0808 762 H359 86.3623 92.1315 79.0768 H 1 noname 0.0234 763 H360 84.7546 91.9220 79.8114 H 1 noname 0.0234 764 H361 86.7261 92.4339 76.9084 H 1 noname 0.0234 765 H362 85.4524 92.4942 75.6666 H 1 noname 0.0234 766 H363 85.9974 90.9254 76.3070 H 1 noname 0.0234 767 H364 85.5436 90.5532 78.9916 H 1 noname 0.0234 768 H365 82.1154 93.9872 73.8944 H 1 noname 0.0563 769 H366 89.8289 86.7323 84.5595 H 1 noname 0.1531 770 H367 90.4336 89.1508 84.7008 H 1 noname 0.1013 771 H368 73.9326 101.8996 83.3486 H 1 noname 0.2181 772 H369 80.0044 95.3771 74.8042 H 1 noname 0.0337 773 H370 81.6190 96.0742 74.5546 H 1 noname 0.0337 774 H371 85.2775 80.3545 79.1637 H 1 noname 0.1271 775 H372 85.8986 81.7167 78.4052 H 1 noname 0.1271 776 H373 79.8261 93.5090 74.0793 H 1 noname 0.1191 777 H374 80.0176 93.0206 75.6636 H 1 noname 0.1191 778 H375 83.8190 90.3060 73.4998 H 1 noname 0.1271 779 H376 84.8099 90.3316 74.8443 H 1 noname 0.1271 780 H377 82.3008 97.5400 76.0864 H 1 noname 0.0625 781 H378 79.9219 94.2949 77.3876 H 1 noname 0.0625 782 H379 82.7481 98.1093 78.3813 H 1 noname 0.0622 783 H380 80.3979 94.8747 79.6757 H 1 noname 0.0622 784 H381 81.8229 96.7739 80.1855 H 1 noname 0.0622 @BOND 1 1 2 1 2 1 211 1 3 2 259 1 4 3 4 1 5 3 321 1 6 4 328 1 7 5 6 1 8 5 351 1 9 6 369 1 10 7 152 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