# Number of dimensions 3 #INAME 1 1H #INAME 2 13C #INAME 3 15N 3 8.732 176.670 131.577 1 ? 8.694e+04 1.23e+01 a 0 295 303 294 0 5 8.948 175.105 131.472 1 ? 1.831e+04 3.66e+00 a 0 274 293 273 0 9 8.544 172.496 128.891 1 ? 4.278e+04 6.01e+00 a 0 1233 1249 1232 0 10 8.544 174.702 128.891 1 ? 2.613e+04 2.96e+00 a 0 1233 1231 1232 0 11 9.163 175.717 129.020 1 ? 4.695e+04 6.98e+00 a 0 1790 1806 1789 0 12 9.163 174.363 129.020 1 ? 2.786e+04 4.11e+00 a 0 1790 1788 1789 0 13 9.114 172.518 128.891 1 ? 1.526e+04 2.70e+00 a 0 1251 1249 1250 0 15 7.449 169.316 128.897 1 ? 3.118e+05 1.40e+01 a 0 2060 2068 2059 0 16 7.449 176.312 128.897 1 ? 3.216e+04 4.30e+00 a 0 2060 2058 2059 0 19 9.378 176.994 128.917 1 ? 5.811e+04 7.75e+00 a 0 1714 1734 1713 0 21 8.137 173.543 128.333 1 ? 2.891e+04 4.89e+00 a 0 1140 1160 1139 0 22 8.137 173.080 128.333 1 ? 3.516e+04 4.24e+00 a 0 1140 1138 1139 0 23 9.040 174.972 128.120 1 ? 6.536e+04 7.10e+00 a 0 635 651 634 0 24 9.040 173.706 128.120 1 ? 3.245e+04 3.05e+00 a 0 635 633 634 0 25 8.904 173.687 128.120 1 ? 5.024e+04 6.11e+00 a 0 613 633 612 0 26 8.904 174.427 128.120 1 ? 3.108e+04 3.94e+00 a 0 613 611 612 0 27 10.119 176.181 128.132 1 ? 3.560e+04 5.45e+00 a 0 1646 1658 1645 0 29 9.364 174.758 127.732 1 ? 4.521e+04 6.02e+00 a 0 1162 1183 1161 0 30 9.364 173.564 127.732 1 ? 1.749e+04 3.23e+00 a 0 1162 1160 1161 0 31 8.636 174.454 127.495 1 ? 4.526e+04 5.00e+00 a 0 1459 1475 1458 0 32 8.636 176.944 127.495 1 ? 3.714e+04 4.14e+00 a 0 1459 1457 1458 0 33 7.411 176.998 127.093 1 ? 9.577e+04 1.36e+01 a 0 894 902 893 0 34 7.411 175.256 127.093 1 ? 3.054e+04 3.65e+00 a 0 894 892 893 0 35 8.950 174.611 126.492 1 ? 8.524e+04 1.04e+01 a 0 653 669 652 0 37 9.177 175.169 126.065 1 ? 5.598e+04 7.06e+00 a 0 671 687 670 0 38 9.177 174.656 126.065 1 ? 2.987e+04 4.24e+00 a 0 671 669 670 0 39 8.748 174.281 125.931 1 ? 3.861e+04 3.36e+00 a 0 699 697 698 0 40 8.748 168.541 125.931 1 ? 4.162e+04 3.17e+00 a 0 0 0 0 0 41 7.589 176.292 125.859 1 ? 5.685e+04 7.94e+00 a 0 1825 1823 1824 0 42 7.589 175.592 125.859 1 ? 3.900e+04 6.20e+00 a 0 1825 1849 1824 0 43 9.688 175.578 125.785 1 ? 9.705e+04 9.08e+00 a 0 1598 1618 1597 0 44 9.688 174.351 125.785 1 ? 2.751e+04 2.96e+00 a 0 1598 1596 1597 0 45 9.582 174.342 125.613 1 ? 6.154e+04 8.83e+00 a 0 1772 1788 1771 0 46 9.582 175.025 125.613 1 ? 2.047e+04 3.41e+00 a 0 1772 1770 1771 0 47 9.886 175.345 125.584 1 ? 3.306e+04 5.83e+00 a 0 1534 1555 1533 0 48 9.886 171.982 125.584 1 ? 9.634e+03 1.28e+00 a 0 1534 1532 1533 0 49 8.408 176.429 125.365 1 ? 1.070e+05 1.10e+01 a 0 183 181 182 0 50 8.408 177.951 125.365 1 ? 3.089e+05 1.07e+01 a 0 183 191 182 0 51 7.993 173.095 124.757 1 ? 1.034e+05 9.29e+00 a 0 1122 1138 1121 0 53 8.338 177.987 124.369 1 ? 7.128e+04 4.90e+00 a 0 1394 1402 1393 0 55 8.508 177.857 124.312 1 ? 6.761e+04 6.48e+00 a 0 1851 1875 1850 0 56 8.508 175.561 124.312 1 ? 3.131e+04 5.30e+00 a 0 1851 1849 1850 0 57 8.397 174.360 124.323 1 ? 9.130e+04 1.26e+01 a 0 0 0 0 0 58 8.397 177.163 124.323 1 ? 7.766e+04 9.59e+00 a 0 0 0 0 0 59 8.412 173.748 123.915 1 ? 4.372e+04 5.25e+00 a 0 1575 1573 1574 0 60 8.412 174.437 123.915 1 ? 3.805e+04 5.12e+00 a 0 1575 1596 1574 0 61 6.589 177.656 123.890 1 ? 7.405e+04 8.93e+00 a 0 1356 1372 1355 0 63 9.332 173.795 123.804 1 ? 8.448e+04 7.88e+00 a 0 1557 1573 1556 0 64 9.332 175.383 123.804 1 ? 3.469e+04 3.23e+00 a 0 1557 1555 1556 0 65 8.787 175.189 123.693 1 ? 3.100e+04 5.36e+00 a 0 689 687 688 0 68 9.232 174.733 123.359 1 ? 4.060e+04 4.01e+00 a 0 345 343 344 0 70 7.749 176.380 123.335 1 ? 1.568e+04 1.94e+00 a 0 390 388 389 0 71 8.418 177.638 122.969 1 ? 9.086e+04 8.98e+00 a 0 1901 1921 1900 0 72 8.418 179.954 122.969 1 ? 2.686e+04 4.55e+00 a 0 1901 1899 1900 0 73 7.729 175.507 122.943 1 ? 1.458e+05 1.18e+01 a 0 1477 1485 1476 0 74 7.729 174.469 122.943 1 ? 2.535e+04 3.52e+00 a 0 1477 1475 1476 0 75 8.341 174.728 122.583 1 ? 1.602e+05 1.46e+01 a 0 203 201 202 0 76 8.341 176.199 122.583 1 ? 2.492e+05 1.39e+01 a 0 203 215 202 0 77 8.506 176.405 122.381 1 ? 2.090e+05 1.08e+01 a 0 165 181 164 0 79 8.771 176.254 122.329 1 ? 8.576e+04 1.08e+01 a 0 1815 1823 1814 0 80 8.771 173.263 122.329 1 ? 4.657e+04 6.17e+00 a 0 1815 1813 1814 0 81 8.640 176.909 122.151 1 ? 7.076e+04 8.57e+00 a 0 1693 1712 1692 0 82 8.640 175.611 122.151 1 ? 3.779e+04 5.60e+00 a 0 1693 1691 1692 0 83 8.181 179.922 122.062 1 ? 1.072e+05 1.05e+01 a 0 1887 1899 1886 0 84 8.181 179.204 122.062 1 ? 2.710e+04 2.88e+00 a 0 1887 1885 1886 0 87 7.315 179.832 121.877 1 ? 1.284e+05 1.13e+01 a 0 1320 1344 1319 0 88 7.315 176.329 121.877 1 ? 2.655e+04 4.35e+00 a 0 1320 1318 1319 0 90 8.020 174.968 121.782 1 ? 1.687e+04 1.67e+00 a 0 0 0 0 0 91 7.829 176.413 121.796 1 ? 9.663e+04 9.61e+00 a 0 1428 1436 1427 0 92 7.829 173.449 121.796 1 ? 2.089e+04 3.32e+00 a 0 1428 1426 1427 0 93 8.078 181.323 121.631 1 ? 1.169e+05 1.27e+01 a 0 526 534 525 0 95 7.467 176.301 121.572 1 ? 6.254e+04 7.48e+00 a 0 2038 2058 2037 0 96 7.467 174.722 121.572 1 ? 3.380e+04 5.21e+00 a 0 2038 2036 2037 0 97 7.914 176.813 121.332 1 ? 1.021e+05 9.05e+00 a 0 305 303 304 0 98 7.914 174.251 121.332 1 ? 2.287e+04 2.83e+00 a 0 305 313 304 0 99 8.474 174.680 121.221 1 ? 8.543e+04 9.77e+00 a 0 1207 1231 1206 0 100 8.474 176.092 121.221 1 ? 5.177e+04 4.59e+00 a 0 1207 1205 1206 0 101 8.303 179.446 121.105 1 ? 7.654e+04 9.19e+00 a 0 428 440 427 0 104 7.924 176.670 121.070 1 ? 3.301e+04 5.51e+00 a 0 305 303 304 0 105 8.191 176.218 121.158 1 ? 5.257e+04 7.83e+00 a 0 217 215 216 0 106 8.191 177.500 121.158 1 ? 8.461e+04 7.14e+00 a 0 217 229 216 0 109 7.872 178.752 121.092 1 ? 7.854e+04 1.10e+01 a 0 976 984 975 0 110 7.872 180.203 121.092 1 ? 2.808e+04 5.56e+00 a 0 976 974 975 0 111 7.591 177.086 121.081 1 ? 9.648e+04 1.03e+01 a 0 986 1006 985 0 112 7.591 178.742 121.081 1 ? 2.362e+04 3.68e+00 a 0 986 984 985 0 113 6.996 179.190 121.078 1 ? 8.464e+04 1.19e+01 a 0 735 743 734 0 114 6.996 169.623 121.078 1 ? 1.115e+04 1.85e+00 a 0 735 733 734 0 115 7.771 175.611 120.990 1 ? 1.042e+05 1.02e+01 a 0 1667 1691 1666 0 116 7.771 173.419 120.990 1 ? 2.786e+04 4.37e+00 a 0 1667 1665 1666 0 117 9.113 173.046 120.775 1 ? 3.065e+04 4.34e+00 a 0 315 330 314 0 118 9.113 174.228 120.775 1 ? 2.026e+04 2.47e+00 a 0 315 313 314 0 119 8.946 176.107 120.678 1 ? 6.524e+04 7.77e+00 a 0 1185 1205 1184 0 120 8.946 174.712 120.678 1 ? 3.247e+04 4.25e+00 a 0 1185 1183 1184 0 121 7.955 179.785 120.706 1 ? 1.087e+05 1.15e+01 a 0 500 524 499 0 123 8.360 181.329 120.606 1 ? 4.587e+04 7.62e+00 a 0 536 534 535 0 124 8.360 177.870 120.606 1 ? 5.789e+04 7.56e+00 a 0 536 548 535 0 125 8.786 179.634 120.404 1 ? 7.803e+04 9.64e+00 a 0 363 375 362 0 127 7.589 179.154 120.057 1 ? 8.959e+04 1.06e+01 a 0 1374 1382 1373 0 128 7.589 177.668 120.057 1 ? 2.114e+04 3.83e+00 a 0 1374 1372 1373 0 129 7.354 176.364 119.899 1 ? 2.878e+04 5.34e+00 a 0 1070 1068 1069 0 130 7.354 173.874 119.899 1 ? 8.852e+03 1.76e+00 a 0 1070 1090 1069 0 131 9.439 179.235 119.862 1 ? 2.717e+04 3.77e+00 a 0 745 743 744 0 133 8.063 179.142 119.795 1 ? 9.544e+04 1.11e+01 a 0 482 498 481 0 134 8.063 179.950 119.795 1 ? 2.233e+04 3.47e+00 a 0 482 480 481 0 135 7.260 176.914 119.642 1 ? 5.812e+04 8.00e+00 a 0 920 941 919 0 136 7.260 178.817 119.642 1 ? 2.608e+04 3.57e+00 a 0 920 918 919 0 137 7.749 177.948 119.458 1 ? 1.418e+05 1.27e+01 a 0 550 562 549 0 138 7.749 168.765 119.458 1 ? 1.229e+04 1.05e+00 a 0 0 0 0 0 141 9.275 175.244 119.131 1 ? 2.779e+04 5.54e+00 a 0 1261 1272 1260 0 143 7.849 176.956 118.883 1 ? 3.516e+04 3.78e+00 a 0 850 871 849 0 144 7.849 179.358 118.883 1 ? 2.353e+04 3.60e+00 a 0 850 848 849 0 145 7.861 179.919 118.848 1 ? 7.535e+04 8.68e+00 a 0 460 480 459 0 146 7.861 178.728 118.848 1 ? 2.517e+04 3.02e+00 a 0 460 458 459 0 147 7.924 176.931 118.823 1 ? 8.983e+04 5.33e+00 a 0 1438 1457 1437 0 148 7.924 176.416 118.823 1 ? 3.998e+04 3.56e+00 a 0 1438 1436 1437 0 149 7.426 180.326 118.788 1 ? 1.016e+05 1.18e+01 a 0 1985 1993 1984 0 150 7.426 176.869 118.788 1 ? 2.898e+04 5.91e+00 a 0 1985 1983 1984 0 151 8.483 173.936 118.712 1 ? 6.758e+04 6.84e+00 a 0 1487 1503 1486 0 152 8.483 175.489 118.712 1 ? 4.147e+04 5.47e+00 a 0 1487 1485 1486 0 153 8.308 178.732 118.650 1 ? 8.732e+04 9.41e+00 a 0 442 458 441 0 154 8.308 179.450 118.650 1 ? 2.696e+04 3.98e+00 a 0 442 440 441 0 155 6.459 179.805 118.630 1 ? 1.182e+05 1.43e+01 a 0 1008 1016 1007 0 156 6.459 177.041 118.630 1 ? 3.516e+04 4.47e+00 a 0 1008 1006 1007 0 157 8.991 175.050 118.296 1 ? 5.763e+04 9.06e+00 a 0 1746 1770 1745 0 158 8.991 174.619 118.296 1 ? 5.835e+04 8.98e+00 a 0 1746 1744 1745 0 159 8.329 175.585 118.197 1 ? 3.692e+04 4.72e+00 a 0 1620 1618 1619 0 160 8.329 176.633 118.197 1 ? 2.043e+04 3.27e+00 a 0 1620 1644 1619 0 161 7.691 173.456 118.033 1 ? 8.489e+04 1.06e+01 a 0 1404 1426 1403 0 162 7.691 178.015 118.033 1 ? 1.075e+04 1.49e+00 a 0 1404 1402 1403 0 163 8.436 179.161 117.730 1 ? 5.173e+04 7.76e+00 a 0 1877 1885 1876 0 164 8.436 177.856 117.730 1 ? 2.788e+04 4.85e+00 a 0 1877 1875 1876 0 165 7.879 174.818 117.707 1 ? 7.302e+04 9.79e+00 a 0 574 598 573 0 166 7.879 174.496 117.707 1 ? 3.550e+04 4.92e+00 a 0 574 572 573 0 170 7.275 178.670 117.347 1 ? 2.550e+04 2.98e+00 a 0 1044 1042 1043 0 171 8.491 173.253 117.247 1 ? 1.912e+04 3.61e+00 a 0 722 720 721 0 172 8.491 169.639 117.247 1 ? 9.963e+03 1.70e+00 a 0 722 733 721 0 173 7.734 180.168 117.305 1 ? 1.004e+05 1.22e+01 a 0 966 974 965 0 174 7.734 175.536 117.305 1 ? 2.668e+04 3.55e+00 a 0 966 964 965 0 175 8.180 178.746 117.101 1 ? 1.024e+05 1.20e+01 a 0 1923 1939 1922 0 176 8.180 177.624 117.101 1 ? 3.829e+04 4.74e+00 a 0 1923 1921 1922 0 177 6.623 175.687 116.691 1 ? 4.984e+04 5.82e+00 a 0 755 777 754 0 179 7.513 177.744 116.630 1 ? 1.330e+05 1.07e+01 a 0 1995 2019 1994 0 180 7.513 180.297 116.630 1 ? 3.561e+04 4.54e+00 a 0 1995 1993 1994 0 181 8.141 176.354 116.553 1 ? 2.785e+04 5.00e+00 a 0 377 388 376 0 183 7.794 174.599 116.372 1 ? 1.485e+05 1.11e+01 a 0 1736 1744 1735 0 184 7.794 177.053 116.372 1 ? 1.106e+04 1.61e+00 a 0 1736 1734 1735 0 185 7.701 175.064 115.949 1 ? 1.207e+05 1.30e+01 a 0 238 254 237 0 186 7.701 173.143 115.949 1 ? 4.086e+04 5.56e+00 a 0 238 236 237 0 187 8.814 178.780 115.450 1 ? 5.294e+04 6.63e+00 a 0 414 426 413 0 188 8.814 175.817 115.450 1 ? 3.166e+04 5.05e+00 a 0 414 412 413 0 189 8.031 176.152 115.373 1 ? 1.080e+04 2.78e+00 a 0 1521 1519 1520 0 190 8.031 171.907 115.373 1 ? 1.352e+04 2.28e+00 a 0 1521 1532 1520 0 191 8.680 178.744 115.282 1 ? 3.221e+04 5.50e+00 a 0 1941 1939 1940 0 192 8.680 177.147 115.282 1 ? 1.480e+04 2.13e+00 a 0 1941 1949 1940 0 193 7.606 175.235 115.184 1 ? 7.387e+04 6.49e+00 a 0 873 892 872 0 195 8.609 173.232 115.103 1 ? 6.674e+04 7.60e+00 a 0 1808 1813 1807 0 197 6.908 178.626 115.090 1 ? 1.076e+05 1.12e+01 a 0 1018 1042 1017 0 198 6.908 179.835 115.090 1 ? 4.177e+04 5.81e+00 a 0 1018 1016 1017 0 199 8.844 173.097 114.681 1 ? 1.205e+05 1.08e+01 a 0 1108 1120 1107 0 200 8.844 181.712 114.681 1 ? 1.424e+04 2.23e+00 a 0 0 0 0 0 201 8.272 174.704 114.695 1 ? 4.363e+05 1.52e+01 a 0 193 201 192 0 202 8.272 177.963 114.695 1 ? 1.264e+05 1.10e+01 a 0 193 191 192 0 203 7.740 174.429 114.659 1 ? 1.327e+05 9.38e+00 a 0 600 611 599 0 204 7.740 174.858 114.659 1 ? 3.040e+04 3.70e+00 a 0 600 598 599 0 205 8.653 179.836 114.401 1 ? 4.865e+04 6.17e+00 a 0 1346 1344 1345 0 206 8.653 172.035 114.401 1 ? 8.387e+03 1.95e+00 a 0 1346 1354 1345 0 207 7.218 174.696 114.387 1 ? 1.050e+05 1.39e+01 a 0 2021 2036 2020 0 208 7.218 177.769 114.387 1 ? 3.000e+04 4.35e+00 a 0 2021 2019 2020 0 221 7.925 174.515 112.174 1 ? 1.439e+05 1.05e+01 a 0 564 572 563 0 222 7.925 177.996 112.174 1 ? 3.250e+04 4.98e+00 a 0 564 562 563 0 231 7.219 168.606 111.637 1 ? 1.598e+04 2.34e+00 a 0 0 0 0 0 233 8.052 179.155 111.620 1 ? 3.042e+04 3.89e+00 a 0 1384 1382 1383 0 234 8.052 178.455 111.620 1 ? 1.646e+04 2.58e+00 a 0 1384 1392 1383 0 239 8.691 173.122 111.020 1 ? 9.028e+04 8.40e+00 a 0 231 236 230 0 240 8.691 177.489 111.020 1 ? 2.628e+04 4.57e+00 a 0 231 229 230 0 241 8.104 176.435 110.829 1 ? 2.188e+04 2.26e+00 a 0 812 820 811 0 247 7.339 174.679 104.698 1 ? 1.039e+05 1.24e+01 a 0 332 343 331 0 248 7.339 173.010 104.698 1 ? 2.832e+04 3.72e+00 a 0 332 330 331 0 249 8.906 173.415 104.343 1 ? 7.587e+04 7.80e+00 a 0 1660 1665 1659 0 250 8.906 176.188 104.343 1 ? 1.572e+04 2.48e+00 a 0 1660 1658 1659 0 251 8.300 175.073 122.725 1 ? 0.000e+00 0.00e+00 - 0 256 254 255 0 252 8.300 176.263 122.725 1 ? 0.000e+00 0.00e+00 - 0 256 272 255 0 253 8.732 175.114 131.577 1 ? 0.000e+00 0.00e+00 - 0 295 293 294 0 254 8.948 176.243 131.472 1 ? 0.000e+00 0.00e+00 - 0 274 272 273 0 255 7.924 174.246 121.070 1 ? 0.000e+00 0.00e+00 - 0 305 313 304 0 256 9.105 173.036 120.927 1 ? 0.000e+00 0.00e+00 - 0 315 330 314 0 257 9.105 174.246 120.927 1 ? 0.000e+00 0.00e+00 - 0 315 313 314 0 258 9.232 177.131 123.359 1 ? 0.000e+00 0.00e+00 - 0 345 361 344 0 259 8.786 177.131 120.404 1 ? 0.000e+00 0.00e+00 - 0 363 361 362 0 260 8.141 179.632 116.553 1 ? 0.000e+00 0.00e+00 - 0 377 375 376 0 261 7.749 175.799 123.335 1 ? 0.000e+00 0.00e+00 - 0 390 412 389 0 262 8.303 178.784 121.105 1 ? 0.000e+00 0.00e+00 - 0 428 426 427 0 263 7.955 179.147 120.706 1 ? 0.000e+00 0.00e+00 - 0 500 498 499 0 264 8.078 179.793 121.631 1 ? 0.000e+00 0.00e+00 - 0 526 524 525 0 266 7.749 177.877 119.458 1 ? 0.000e+00 0.00e+00 - 0 550 548 549 0 267 8.950 174.952 126.492 1 ? 0.000e+00 0.00e+00 - 0 653 651 652 0 268 8.787 174.287 123.693 1 ? 0.000e+00 0.00e+00 - 0 689 697 688 0 269 8.748 173.198 125.931 1 ? 0.000e+00 0.00e+00 - 0 699 720 698 0 270 8.104 178.038 110.829 1 ? 0.000e+00 0.00e+00 - 0 812 810 811 0 271 7.873 179.349 121.441 1 ? 0.000e+00 0.00e+00 - 0 822 848 821 0 272 7.873 176.404 121.441 1 ? 0.000e+00 0.00e+00 - 0 822 820 821 0 274 8.199 175.537 120.927 1 ? 0.000e+00 0.00e+00 - 0 943 964 942 0 275 8.199 176.909 120.927 1 ? 0.000e+00 0.00e+00 - 0 943 941 942 0 276 7.606 176.969 115.184 1 ? 0.000e+00 0.00e+00 - 0 873 871 872 0 277 7.275 176.324 117.347 1 ? 0.000e+00 0.00e+00 - 0 1044 1068 1043 0 278 8.844 176.727 114.681 1 ? 0.000e+00 0.00e+00 - 0 1108 1106 1107 0 279 7.993 173.036 124.757 1 ? 0.000e+00 0.00e+00 - 0 1122 1120 1121 0 280 8.087 176.304 121.698 1 ? 0.000e+00 0.00e+00 - 0 1298 1318 1297 0 281 8.087 177.110 121.698 1 ? 0.000e+00 0.00e+00 - 0 1298 1296 1297 0 282 8.020 177.090 121.782 1 ? 0.000e+00 0.00e+00 - 0 1284 1296 1283 0 283 8.020 177.393 121.782 1 ? 0.000e+00 0.00e+00 - 0 1284 1282 1283 0 285 8.527 177.413 119.385 1 ? 0.000e+00 0.00e+00 - 0 1274 1282 1273 0 286 10.119 176.626 128.132 1 ? 0.000e+00 0.00e+00 - 0 1646 1644 1645 0 287 9.378 176.889 128.917 1 ? 0.000e+00 0.00e+00 - 0 1714 1712 1713 0 288 8.614 173.258 115.275 1 ? 0.000e+00 0.00e+00 - 0 1808 1813 1807 0 289 8.614 175.719 115.275 1 ? 0.000e+00 0.00e+00 - 0 1808 1806 1807 0 290 7.904 176.848 121.184 1 ? 0.000e+00 0.00e+00 - 0 1964 1983 1963 0 291 8.207 175.537 121.184 1 ? 0.000e+00 0.00e+00 - 0 1951 1962 1950 0 292 9.275 177.985 119.131 1 ? 0.000e+00 0.00e+00 - 0 1261 1259 1260 0 293 8.506 177.138 122.381 1 ? 0.000e+00 0.00e+00 - 0 165 163 164 0 294 9.588 175.449 121.441 1 ? 0.000e+00 0.00e+00 - 0 789 794 788 0