# Number of dimensions 3 #INAME 1 1H #INAME 2 13C #INAME 3 15N 1 7.827 173.103 127.442 1 ? 2.658e+04 1.83e+01 a 0 1721 1737 1720 0 2 7.827 174.954 127.442 1 ? 1.044e+04 7.54e+00 a 0 1721 1719 1720 0 3 8.336 177.456 125.975 1 ? 6.087e+04 2.13e+01 a 0 546 554 545 0 4 8.336 174.314 125.975 1 ? 9.921e+03 9.66e+00 a 0 546 544 545 0 5 8.267 177.342 125.302 1 ? 4.890e+04 1.63e+01 a 0 1849 1857 1848 0 6 8.267 176.872 125.302 1 ? 7.235e+03 7.03e+00 a 0 1849 1847 1848 0 7 8.268 177.824 124.810 1 ? 5.076e+04 1.96e+01 a 0 173 181 172 0 8 8.268 176.587 124.810 1 ? 1.017e+04 6.08e+00 a 0 173 171 172 0 9 8.352 177.178 124.178 1 ? 1.177e+04 9.92e+00 a 0 111 131 110 0 10 8.352 174.701 124.178 1 ? 1.063e+04 8.16e+00 a 0 111 109 110 0 13 7.867 177.463 123.872 1 ? 3.449e+04 1.81e+01 a 0 674 682 673 0 14 7.867 175.228 123.872 1 ? 8.665e+03 6.59e+00 a 0 674 672 673 0 15 8.466 176.082 123.848 1 ? 2.394e+04 2.01e+01 a 0 265 263 264 0 16 8.465 174.568 123.848 1 ? 1.273e+04 1.17e+01 a 0 265 291 264 0 17 8.193 179.334 123.765 1 ? 3.846e+04 1.83e+01 a 0 1584 1592 1583 0 18 8.193 177.718 123.765 1 ? 1.328e+04 9.67e+00 a 0 0 0 0 0 19 8.146 178.261 123.725 1 ? 4.086e+04 1.78e+01 a 0 1636 1644 1635 0 20 8.146 177.444 123.725 1 ? 9.830e+03 7.58e+00 a 0 1636 1634 1635 0 21 8.248 178.261 123.566 1 ? 8.580e+03 1.84e+00 a 0 0 0 0 0 22 8.248 179.318 123.566 1 ? 5.919e+03 1.61e+00 a 0 0 0 0 0 23 8.547 176.862 123.529 1 ? 2.764e+04 1.64e+01 a 0 1538 1554 1537 0 24 8.547 174.815 123.529 1 ? 4.621e+03 2.35e+00 a 0 1538 1536 1537 0 25 8.342 176.198 123.464 1 ? 4.485e+04 1.77e+01 a 0 1961 1973 1960 0 26 8.342 174.525 123.464 1 ? 1.467e+04 7.40e+00 a 0 1961 1959 1960 0 27 8.447 176.168 123.392 1 ? 3.936e+04 7.00e+00 a 0 0 0 0 0 28 8.447 170.039 123.392 1 ? 2.574e+03 1.44e+00 a 0 0 0 0 0 29 8.396 176.350 123.309 1 ? 4.560e+04 1.04e+01 a 0 1906 1918 1905 0 30 8.396 174.724 123.309 1 ? 1.459e+04 6.58e+00 a 0 1906 1904 1905 0 31 8.221 174.928 123.105 1 ? 3.483e+04 1.19e+01 a 0 1698 1719 1697 0 33 8.360 176.600 122.872 1 ? 2.980e+04 1.13e+01 a 0 147 145 146 0 35 8.462 176.635 122.686 1 ? 5.605e+04 7.21e+00 a 0 133 145 132 0 36 8.462 177.167 122.686 1 ? 9.046e+03 5.42e+00 a 0 133 131 132 0 37 8.289 174.236 122.767 1 ? 3.872e+04 2.06e+01 a 0 467 493 466 0 38 8.289 177.124 122.767 1 ? 8.090e+03 6.34e+00 a 0 467 465 466 0 39 8.221 174.863 122.514 1 ? 1.480e+04 6.15e+00 a 0 403 401 402 0 40 8.221 176.220 122.514 1 ? 1.929e+04 6.10e+00 a 0 403 429 402 0 41 8.261 176.184 122.362 1 ? 1.808e+04 6.92e+00 a 0 209 235 208 0 42 8.261 176.655 122.362 1 ? 5.320e+03 3.45e+00 a 0 209 207 208 0 43 8.466 175.836 122.300 1 ? 1.893e+04 6.22e+00 a 0 2041 2039 2040 0 45 8.027 178.709 121.929 1 ? 5.234e+04 1.69e+01 a 0 1646 1654 1645 0 46 8.027 178.277 121.929 1 ? 2.013e+04 8.13e+00 a 0 1646 1644 1645 0 49 8.437 174.074 121.658 1 ? 3.996e+04 9.73e+00 a 0 600 616 599 0 50 8.429 174.848 121.658 1 ? 4.162e+04 7.93e+00 a 0 386 401 385 0 51 8.272 174.333 121.569 1 ? 5.228e+04 1.52e+01 a 0 556 582 555 0 52 8.272 177.457 121.569 1 ? 2.772e+04 1.49e+01 a 0 556 554 555 0 53 8.027 176.492 121.519 1 ? 1.017e+04 7.72e+00 a 0 319 317 318 0 54 8.027 177.379 121.519 1 ? 1.327e+04 4.92e+00 a 0 319 339 318 0 55 8.199 176.269 121.325 1 ? 4.713e+04 1.23e+01 a 0 1920 1918 1919 0 56 8.199 175.910 121.325 1 ? 2.619e+03 2.46e+00 a 0 0 0 0 0 57 8.498 176.973 121.198 1 ? 3.073e+04 1.18e+01 a 0 2009 2007 2008 0 58 8.498 176.634 121.198 1 ? 5.340e+04 9.10e+00 a 0 2009 2021 2008 0 59 8.040 177.452 121.104 1 ? 3.276e+04 8.87e+00 a 0 1608 1634 1607 0 60 8.040 177.883 121.104 1 ? 1.113e+04 5.62e+00 a 0 1608 1606 1607 0 61 8.187 177.746 120.936 1 ? 3.840e+04 1.33e+01 a 0 1570 1568 1569 0 63 8.258 177.808 120.873 1 ? 2.802e+04 1.33e+01 a 0 183 181 182 0 64 8.258 176.642 120.873 1 ? 2.129e+04 9.14e+00 a 0 183 207 182 0 65 7.823 179.348 120.874 1 ? 4.692e+04 1.45e+01 a 0 2074 2085 2073 0 66 7.823 174.098 120.874 1 ? 1.571e+04 1.11e+01 a 0 2074 2072 2073 0 67 8.178 176.942 120.712 1 ? 3.946e+04 1.78e+01 a 0 351 363 350 0 68 8.178 176.661 120.712 1 ? 1.315e+04 3.59e+00 a 0 351 349 350 0 69 8.477 177.895 120.753 1 ? 3.449e+04 1.53e+01 a 0 1556 1568 1555 0 70 8.477 176.885 120.753 1 ? 1.442e+04 3.81e+00 a 0 1556 1554 1555 0 71 8.049 177.342 120.574 1 ? 1.334e+04 5.99e+00 a 0 1859 1857 1858 0 72 8.050 174.749 120.574 1 ? 3.812e+04 3.67e+00 a 0 1859 1875 1858 0 73 8.218 176.622 120.362 1 ? 2.451e+04 9.52e+00 a 0 341 349 340 0 74 8.218 177.388 120.362 1 ? 6.603e+03 4.99e+00 a 0 341 339 340 0 75 7.974 176.531 120.343 1 ? 2.117e+04 1.10e+01 a 0 365 384 364 0 76 7.974 176.968 120.343 1 ? 1.324e+04 6.42e+00 a 0 365 363 364 0 77 7.909 176.355 120.044 1 ? 3.435e+03 1.83e+00 a 0 1165 1186 1164 0 79 8.148 176.067 119.909 1 ? 2.050e+04 9.65e+00 a 0 1505 1526 1504 0 80 8.148 176.853 119.909 1 ? 1.196e+04 5.62e+00 a 0 1505 1503 1504 0 81 8.442 176.246 119.833 1 ? 1.933e+04 1.08e+01 a 0 1938 1936 1937 0 82 8.442 174.954 119.833 1 ? 3.283e+04 1.06e+01 a 0 1938 1946 1937 0 83 8.129 177.043 119.559 1 ? 3.535e+04 1.63e+01 a 0 1663 1679 1662 0 84 8.129 174.755 119.559 1 ? 1.459e+04 1.12e+01 a 0 1663 1661 1662 0 85 8.207 175.781 119.420 1 ? 2.917e+04 1.54e+01 a 0 684 696 683 0 86 8.207 177.498 119.420 1 ? 1.737e+04 1.10e+01 a 0 684 682 683 0 87 8.511 176.506 119.282 1 ? 1.880e+04 5.86e+00 a 0 309 317 308 0 88 8.511 176.685 119.282 1 ? 2.538e+04 5.82e+00 a 0 309 307 308 0 89 8.440 174.099 119.010 1 ? 4.469e+04 1.63e+01 a 0 2064 2072 2063 0 90 8.440 174.886 119.010 1 ? 1.520e+04 8.99e+00 a 0 2064 2062 2063 0 91 8.229 177.871 118.930 1 ? 3.725e+04 1.89e+01 a 0 1594 1606 1593 0 92 8.229 179.338 118.930 1 ? 1.867e+04 1.61e+01 a 0 1594 1592 1593 0 93 8.520 178.636 118.083 1 ? 7.868e+03 4.45e+00 a 0 1252 1260 1251 0 94 8.520 176.047 118.083 1 ? 4.274e+03 3.98e+00 a 0 996 1017 995 0 95 8.175 174.876 117.820 1 ? 8.911e+03 9.73e+00 a 0 1528 1536 1527 0 97 8.512 175.219 117.230 1 ? 3.099e+04 1.71e+01 a 0 660 672 659 0 98 8.512 177.263 117.230 1 ? 9.638e+03 7.59e+00 a 0 660 658 659 0 99 8.236 174.512 116.229 1 ? 5.301e+04 1.70e+01 a 0 1948 1959 1947 0 100 8.236 174.959 116.229 1 ? 1.464e+04 9.17e+00 a 0 1948 1946 1947 0 101 8.197 174.293 115.775 1 ? 4.833e+04 1.69e+01 a 0 536 544 535 0 103 8.146 174.005 115.649 1 ? 2.589e+04 1.13e+01 a 0 1688 1696 1687 0 104 8.146 174.283 115.649 1 ? 1.229e+04 7.58e+00 a 0 1688 1686 1687 0 105 8.188 174.886 114.657 1 ? 3.616e+04 1.25e+01 a 0 2051 2062 2050 0 106 8.188 176.633 114.657 1 ? 8.507e+03 6.49e+00 a 0 2051 2049 2050 0 107 8.487 174.298 110.505 1 ? 5.001e+04 1.22e+01 a 0 529 534 528 0 108 8.487 176.848 110.505 1 ? 1.220e+04 7.77e+00 a 0 529 527 528 0 109 8.456 174.267 109.915 1 ? 3.949e+04 1.44e+01 a 0 1681 1686 1680 0 110 8.456 177.051 109.915 1 ? 8.158e+03 9.11e+00 a 0 1681 1679 1680 0 111 8.167 174.749 107.275 1 ? 4.283e+04 1.78e+01 a 0 1656 1661 1655 0 112 8.167 178.731 107.275 1 ? 1.320e+04 1.02e+01 a 0 1656 1654 1655 0 113 9.310 179.112 130.381 1 ? 2.765e+03 3.42e+00 a 0 893 913 892 0 114 9.310 177.020 130.381 1 ? 2.368e+03 2.08e+00 a 0 893 891 892 0 115 8.994 179.295 123.175 1 ? 7.121e+03 4.19e+00 a 0 1226 1250 1225 0 116 8.994 169.483 123.175 1 ? 4.232e+03 4.04e+00 a 0 0 0 0 0 119 8.796 173.433 120.017 1 ? 8.083e+03 1.03e+01 a 0 838 853 837 0 121 8.945 174.552 118.053 1 ? 6.852e+03 6.49e+00 a 0 925 933 924 0 122 8.945 179.628 118.053 1 ? 2.534e+03 2.67e+00 a 0 925 923 924 0 123 8.809 176.111 117.036 1 ? 2.646e+03 3.97e+00 a 0 1019 1017 1018 0 124 8.809 174.477 117.036 1 ? 2.840e+03 3.83e+00 a 0 1019 1038 1018 0 127 7.589 178.711 122.848 1 ? 8.515e+03 7.89e+00 a 0 1148 1163 1147 0 129 8.123 174.543 126.909 1 ? 7.883e+03 7.37e+00 a 0 721 719 720 0 131 7.953 177.730 119.809 1 ? 7.656e+03 6.54e+00 a 0 1407 1423 1406 0 132 7.953 178.982 119.809 1 ? 2.589e+03 3.21e+00 a 0 1407 1405 1406 0 133 7.528 176.281 119.405 1 ? 6.010e+03 6.14e+00 a 0 1262 1277 1261 0 134 7.528 178.569 119.405 1 ? 2.503e+03 2.87e+00 a 0 1262 1260 1261 0 135 7.889 177.717 119.140 1 ? 3.156e+03 3.66e+00 a 0 1425 1445 1424 0 137 7.603 178.985 118.986 1 ? 8.640e+03 6.66e+00 a 0 1381 1405 1380 0 138 7.603 179.775 118.986 1 ? 2.589e+03 2.29e+00 a 0 1381 1379 1380 0 139 7.742 175.965 118.968 1 ? 1.884e+04 1.32e+01 a 0 1457 1473 1456 0 141 7.989 180.245 118.526 1 ? 1.040e+04 9.05e+00 a 0 1109 1133 1108 0 143 7.847 179.790 118.365 1 ? 7.098e+03 6.91e+00 a 0 1359 1379 1358 0 144 7.847 178.424 118.365 1 ? 3.761e+03 3.75e+00 a 0 1359 1357 1358 0 147 7.643 179.466 117.414 1 ? 6.788e+03 6.62e+00 a 0 1279 1303 1278 0 148 7.643 176.287 117.414 1 ? 2.401e+03 3.36e+00 a 0 1279 1277 1278 0 149 7.835 175.135 117.194 1 ? 1.031e+04 9.51e+00 a 0 1216 1224 1215 0 151 7.201 176.462 115.555 1 ? 7.938e+03 7.62e+00 a 0 1188 1214 1187 0 153 7.261 174.018 115.185 1 ? 8.091e+03 6.08e+00 a 0 945 971 944 0 154 7.261 175.702 115.185 1 ? 2.218e+03 2.29e+00 a 0 945 943 944 0 155 7.858 177.741 114.622 1 ? 1.378e+03 2.37e+00 a 0 1447 1445 1446 0 156 7.860 174.538 114.622 1 ? 1.067e+03 1.04e+00 a 0 1447 1455 1446 0 157 8.132 177.162 114.124 1 ? 2.500e+04 1.23e+01 a 0 1893 1891 1892 0 158 8.132 174.722 114.124 1 ? 3.699e+04 1.23e+01 a 0 1893 1904 1892 0 159 8.327 182.716 113.712 1 ? 9.697e+04 4.41e+00 a 0 0 0 0 0 161 8.124 175.306 108.724 1 ? 1.544e+04 1.37e+01 a 0 802 807 801 0 163 9.307 175.346 113.887 1 ? 1.354e+04 3.50e+00 a 0 795 800 794 0 165 7.250 177.688 122.451 1 ? 6.016e+03 4.21e+00 a 0 1087 1085 1086 0 167 8.625 176.827 121.187 1 ? 4.369e+04 2.11e+01 a 0 511 527 510 0 168 8.625 177.273 121.187 1 ? 2.460e+04 1.93e+01 a 0 511 509 510 0 173 7.543 178.414 121.298 1 ? 7.148e+03 6.42e+00 a 0 1331 1357 1330 0 174 7.543 178.828 121.298 1 ? 5.083e+03 3.57e+00 a 0 1331 1329 1330 0 175 7.516 174.944 121.489 1 ? 1.196e+04 1.09e+01 a 0 757 777 756 0 176 7.516 176.018 121.489 1 ? 2.098e+03 2.17e+00 a 0 757 755 756 0 179 8.379 179.619 123.928 1 ? 1.109e+04 9.45e+00 a 0 915 923 914 0 180 8.379 179.192 123.928 1 ? 3.648e+03 3.23e+00 a 0 915 913 914 0 181 8.369 175.844 121.498 1 ? 4.112e+04 1.36e+01 a 0 2023 2039 2022 0 182 8.369 176.631 121.498 1 ? 1.952e+04 3.59e+00 a 0 2023 2021 2022 0 183 8.335 176.320 121.397 1 ? 1.909e+04 1.60e+01 a 0 1771 1797 1770 0 184 8.335 176.984 121.397 1 ? 1.476e+04 1.04e+01 a 0 1771 1769 1770 0 185 8.336 174.556 120.343 1 ? 6.230e+03 5.50e+00 a 0 973 994 972 0 186 8.336 174.081 120.343 1 ? 2.675e+03 2.26e+00 a 0 973 971 972 0 187 8.301 178.818 119.420 1 ? 7.371e+03 6.47e+00 a 0 1305 1329 1304 0 189 8.305 175.995 118.663 1 ? 1.263e+04 7.26e+00 a 0 747 755 746 0 190 8.305 182.720 118.663 1 ? 1.778e+03 1.97e+00 a 0 0 0 0 0 191 8.138 180.281 116.139 1 ? 2.861e+03 2.97e+00 a 0 1135 1133 1134 0 193 7.913 173.936 106.905 1 ? 9.326e+03 9.30e+00 a 0 809 814 808 0 194 7.913 175.337 106.905 1 ? 3.442e+03 3.59e+00 a 0 809 807 808 0 195 7.400 175.336 114.998 1 ? 6.083e+03 4.57e+00 a 0 1040 1048 1039 0 199 7.297 176.800 118.074 1 ? 3.452e+03 4.60e+00 a 0 816 836 815 0 200 7.297 173.929 118.074 1 ? 1.251e+03 2.02e+00 a 0 816 814 815 0 201 7.802 175.686 113.537 1 ? 1.061e+04 2.27e+00 a 0 0 0 0 0 202 7.802 180.697 113.537 1 ? 2.042e+03 9.48e-01 a 0 0 0 0 0 203 7.833 182.727 114.507 1 ? 3.842e+03 3.07e+00 a 0 0 0 0 0 205 8.232 174.710 124.933 1 ? 2.116e+04 1.82e+01 a 0 1475 1487 1474 0 206 8.232 176.000 124.933 1 ? 6.236e+03 5.63e+00 a 0 1475 1473 1474 0 209 8.208 179.134 123.961 1 ? 4.221e+03 2.21e+00 a 0 0 0 0 0 210 8.208 175.836 123.961 1 ? 2.111e+03 2.06e+00 a 0 1584 1582 1583 0 211 8.268 176.862 124.142 1 ? 1.396e+04 6.86e+00 a 0 1827 1847 1826 0 212 8.268 176.021 124.142 1 ? 8.196e+03 6.48e+00 a 0 1827 1825 1826 0 215 8.251 177.116 123.663 1 ? 1.666e+04 7.24e+00 a 0 445 465 444 0 216 8.251 176.319 123.663 1 ? 1.187e+04 6.28e+00 a 0 445 443 444 0 217 8.244 174.524 123.166 1 ? 4.355e+04 1.31e+01 a 0 1975 1991 1974 0 218 8.244 176.194 123.166 1 ? 1.221e+04 4.47e+00 a 0 1975 1973 1974 0 219 8.389 176.027 122.651 1 ? 9.176e+03 3.41e+00 a 0 1799 1825 1798 0 223 8.382 176.013 122.779 1 ? 9.745e+03 3.12e+00 a 0 1799 1825 1798 0 224 8.382 176.590 122.779 1 ? 9.952e+03 1.37e+00 a 0 1799 1797 1798 0 225 8.108 174.554 121.771 1 ? 1.787e+04 8.46e+00 a 0 698 719 697 0 226 8.108 175.808 121.771 1 ? 7.530e+03 5.69e+00 a 0 698 696 697 0 227 8.183 176.285 121.195 1 ? 2.561e+04 8.15e+00 a 0 1920 1936 1919 0 228 8.183 175.923 121.195 1 ? 1.916e+03 3.23e+00 a 0 1570 1582 1569 0 229 8.076 174.757 120.725 1 ? 3.414e+04 4.77e+00 a 0 0 0 0 0 230 8.076 177.367 120.725 1 ? 1.642e+04 4.62e+00 a 0 0 0 0 0 232 8.177 176.014 117.869 1 ? 2.299e+03 1.96e+00 a 0 1528 1526 1527 0 235 8.369 174.658 115.089 1 ? 2.860e+03 3.52e+00 a 0 0 0 0 0 236 8.369 175.835 115.089 1 ? 1.317e+03 1.97e+00 a 0 0 0 0 0 241 8.994 175.132 123.175 1 ? 0.000e+00 0.00e+00 - 0 1226 1224 1225 0 242 8.205 174.804 121.627 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 243 8.205 177.105 121.627 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 245 8.715 174.399 123.493 1 ? 0.000e+00 0.00e+00 - 0 883 881 882 0 246 8.715 176.965 123.493 1 ? 0.000e+00 0.00e+00 - 0 883 891 882 0 247 7.967 175.636 122.871 1 ? 0.000e+00 0.00e+00 - 0 935 943 934 0 248 8.187 176.261 120.936 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 249 8.580 175.315 121.627 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 250 8.580 175.832 121.627 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 251 8.564 176.268 122.042 1 ? 0.000e+00 0.00e+00 - 0 431 429 430 0 253 8.076 175.945 120.725 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 254 8.796 176.789 120.017 1 ? 0.000e+00 0.00e+00 - 0 838 836 837 0 255 8.305 176.884 118.663 1 ? 0.000e+00 0.00e+00 - 0 747 745 746 0 256 8.127 175.317 119.140 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 257 8.127 174.398 119.140 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 259 7.909 178.727 120.044 1 ? 0.000e+00 0.00e+00 - 0 1165 1163 1164 0 260 8.158 175.200 119.762 1 ? 0.000e+00 0.00e+00 - 0 0 0 0 0 261 8.437 176.664 121.658 1 ? 0.000e+00 0.00e+00 - 0 600 598 599 0 262 8.429 176.548 121.658 1 ? 0.000e+00 0.00e+00 - 0 386 0 385 0 263 8.197 174.287 115.775 1 ? 0.000e+00 0.00e+00 - 0 536 0 535 0 264 8.123 174.345 126.909 1 ? 0.000e+00 0.00e+00 - 0 721 729 720 0 265 8.444 176.084 123.286 1 ? 0.000e+00 0.00e+00 - 0 237 263 236 0 266 9.307 179.331 113.887 1 ? 0.000e+00 0.00e+00 - 0 795 793 794 0 267 8.673 173.437 123.493 1 ? 0.000e+00 0.00e+00 - 0 855 853 854 0 268 8.673 174.403 123.493 1 ? 0.000e+00 0.00e+00 - 0 855 881 854 0 269 7.967 174.558 122.871 1 ? 0.000e+00 0.00e+00 - 0 935 0 934 0 270 8.520 174.558 118.083 1 ? 0.000e+00 0.00e+00 - 0 996 0 995 0 271 8.520 179.312 118.083 1 ? 0.000e+00 0.00e+00 - 0 1252 1250 1251 0 272 7.400 174.480 114.998 1 ? 0.000e+00 0.00e+00 - 0 1040 0 1039 0 273 8.327 175.311 113.712 1 ? 0.000e+00 0.00e+00 - 0 1050 0 1049 0 274 7.250 176.422 122.451 1 ? 0.000e+00 0.00e+00 - 0 1087 1107 1086 0 275 7.989 176.432 118.526 1 ? 0.000e+00 0.00e+00 - 0 1109 0 1108 0 276 8.138 177.379 116.139 1 ? 0.000e+00 0.00e+00 - 0 1135 1146 1134 0 277 7.589 177.398 122.848 1 ? 0.000e+00 0.00e+00 - 0 1148 0 1147 0 278 8.301 179.466 119.420 1 ? 0.000e+00 0.00e+00 - 0 1305 0 1304 0 279 7.742 174.519 118.968 1 ? 0.000e+00 0.00e+00 - 0 1457 0 1456 0 280 8.564 176.325 122.042 1 ? 0.000e+00 0.00e+00 - 0 431 443 430 0 281 8.466 176.597 122.300 1 ? 0.000e+00 0.00e+00 - 0 2041 2049 2040 0