# Number of dimensions 2 #INAME 1 1H #INAME 2 15N 2 8.118 131.876 2 U 1.825e+04 0.00e+00 m 0 400 399 0 3 8.685 131.624 2 U 1.620e+04 0.00e+00 m 0 1337 1336 0 5 7.936 129.893 2 U 2.127e+04 0.00e+00 m 0 0 0 0 8 7.910 128.486 2 U 5.222e+03 0.00e+00 m 0 1964 1963 0 9 9.478 128.264 2 U 1.157e+04 0.00e+00 m 0 953 952 0 10 9.226 128.183 2 U 1.475e+04 0.00e+00 m 0 1320 1319 0 12 9.176 127.335 2 U 1.335e+04 0.00e+00 m 0 1299 1298 0 13 7.655 127.185 2 U 1.809e+04 0.00e+00 m 0 0 0 0 14 9.772 127.138 2 U 1.326e+04 0.00e+00 m 0 853 852 0 15 9.053 126.891 2 U 1.709e+04 0.00e+00 m 0 764 763 0 16 8.598 126.524 2 U 2.031e+04 0.00e+00 m 0 931 930 0 17 9.375 125.991 2 U 1.656e+04 0.00e+00 m 0 813 812 0 18 7.993 125.837 2 U 1.868e+04 0.00e+00 m 0 390 389 0 19 8.336 125.415 2 U 2.407e+04 0.00e+00 m 0 33 32 0 20 8.154 125.413 2 U 9.994e+03 0.00e+00 m 0 1878 1877 0 21 8.606 125.298 2 U 1.502e+04 0.00e+00 m 0 1000 999 0 22 8.914 125.120 2 U 1.445e+04 0.00e+00 m 0 98 97 0 23 8.726 124.955 2 U 1.925e+04 0.00e+00 m 0 299 298 0 25 9.097 124.877 2 U 1.518e+04 0.00e+00 m 0 792 791 0 26 8.403 124.687 2 U 1.759e+04 0.00e+00 m 0 1577 1576 0 27 8.225 124.644 2 U 9.850e+03 0.00e+00 m 0 1850 1849 0 28 9.123 124.382 2 U 6.829e+03 0.00e+00 m 0 134 133 0 30 8.581 124.268 2 U 1.743e+04 0.00e+00 m 0 285 284 0 31 9.231 123.938 2 U 1.702e+04 0.00e+00 m 0 88 87 0 32 8.042 123.917 2 U 2.954e+04 0.00e+00 m 0 1481 1480 0 33 8.175 123.771 2 U 1.977e+04 0.00e+00 m 0 481 480 0 34 8.353 123.738 2 U 2.490e+04 0.00e+00 m 0 47 46 0 35 8.112 123.735 2 U 5.993e+03 0.00e+00 m 0 1938 1937 0 36 8.846 123.716 2 U 1.602e+04 0.00e+00 m 0 65 64 0 37 8.249 123.090 2 U 1.950e+04 0.00e+00 m 0 1146 1145 0 38 8.558 123.075 2 U 3.222e+04 0.00e+00 m 0 1517 1516 0 39 7.265 123.052 2 U 2.616e+04 0.00e+00 m 0 1035 1034 0 40 8.642 122.977 2 U 1.597e+04 0.00e+00 m 0 1375 1374 0 41 8.338 122.841 2 U 2.725e+04 0.00e+00 m 0 1640 1639 0 46 7.412 122.787 2 U 2.751e+04 0.00e+00 m 0 407 406 0 47 7.771 122.748 2 U 2.070e+04 0.00e+00 m 0 603 602 0 51 8.347 122.629 2 U 3.400e+04 0.00e+00 m 0 1812 1811 0 55 8.177 122.466 2 U 2.153e+04 0.00e+00 m 0 1591 1590 0 57 8.125 122.349 2 U 1.847e+04 0.00e+00 m 0 0 0 0 60 8.229 122.266 2 U 2.868e+04 0.00e+00 m 0 1507 1506 0 62 8.065 122.146 2 U 2.298e+04 0.00e+00 m 0 471 470 0 65 8.148 122.013 2 U 4.608e+04 0.00e+00 m 0 1715 1714 0 66 8.413 121.916 2 U 1.679e+04 0.00e+00 m 0 195 194 0 67 8.056 121.885 2 U 1.520e+04 0.00e+00 m 0 1832 1831 0 68 8.306 121.811 2 U 2.028e+04 0.00e+00 m 0 1654 1653 0 71 8.153 121.673 2 U 1.606e+04 0.00e+00 m 0 1617 1616 0 72 8.527 121.546 2 U 1.411e+04 0.00e+00 m 0 351 350 0 74 8.432 121.447 2 U 2.436e+04 0.00e+00 m 0 218 217 0 77 8.469 121.376 2 U 3.031e+04 0.00e+00 m 0 1434 1433 0 79 8.342 121.334 2 U 2.725e+04 0.00e+00 m 0 1692 1691 0 81 7.597 121.333 2 U 2.381e+04 0.00e+00 m 0 1248 1247 0 84 8.944 121.029 2 U 1.897e+04 0.00e+00 m 0 425 424 0 85 7.845 121.018 2 U 2.590e+04 0.00e+00 m 0 1559 1558 0 86 8.852 120.901 2 U 1.591e+04 0.00e+00 m 0 267 266 0 87 8.249 120.775 2 U 3.668e+04 0.00e+00 m 0 1448 1447 0 91 7.983 120.717 2 U 3.808e+04 0.00e+00 m 0 1745 1744 0 94 8.058 120.664 2 U 3.768e+04 0.00e+00 m 0 1458 1457 0 96 7.686 120.452 2 U 2.420e+04 0.00e+00 m 0 1185 1184 0 97 7.240 120.407 2 U 3.113e+04 0.00e+00 m 0 746 745 0 100 8.085 120.302 2 U 3.495e+04 0.00e+00 m 0 1156 1155 0 102 7.543 119.949 2 U 1.927e+04 0.00e+00 m 0 325 324 0 103 8.485 119.813 2 U 2.391e+04 0.00e+00 m 0 986 985 0 104 8.793 119.792 2 U 1.493e+04 0.00e+00 m 0 1271 1270 0 105 9.457 119.325 2 U 1.570e+04 0.00e+00 m 0 155 154 0 107 7.377 119.044 2 U 2.622e+04 0.00e+00 m 0 1062 1061 0 109 8.231 118.898 2 U 1.909e+04 0.00e+00 m 0 876 875 0 110 7.723 118.897 2 U 2.490e+04 0.00e+00 m 0 555 554 0 112 9.341 118.782 2 U 2.018e+04 0.00e+00 m 0 457 456 0 113 8.337 118.796 2 U 3.050e+04 0.00e+00 m 0 1420 1419 0 114 7.628 118.753 2 U 1.126e+04 0.00e+00 m 0 228 227 0 115 8.607 118.584 2 U 1.438e+04 0.00e+00 m 0 1347 1346 0 116 8.269 118.514 2 U 1.732e+04 0.00e+00 m 0 903 902 0 117 8.442 118.245 2 U 1.759e+04 0.00e+00 m 0 1120 1119 0 118 7.985 118.176 2 U 2.890e+04 0.00e+00 m 0 1052 1051 0 119 8.051 118.146 2 U 1.950e+04 0.00e+00 m 0 581 580 0 120 8.484 117.881 2 U 1.457e+04 0.00e+00 m 0 1098 1097 0 121 7.336 117.827 2 U 2.890e+04 0.00e+00 m 0 639 638 0 124 8.733 117.371 2 U 1.668e+04 0.00e+00 m 0 503 502 0 125 7.669 117.320 2 U 2.391e+04 0.00e+00 m 0 529 528 0 126 8.307 117.191 2 U 3.345e+04 0.00e+00 m 0 913 912 0 127 7.592 117.056 2 U 2.523e+04 0.00e+00 m 0 1231 1230 0 128 8.891 116.853 2 U 1.427e+04 0.00e+00 m 0 708 707 0 129 8.023 116.874 2 U 2.487e+04 0.00e+00 m 0 726 725 0 130 8.498 116.816 2 U 1.277e+04 0.00e+00 m 0 181 180 0 133 8.418 116.655 2 U 3.359e+04 0.00e+00 m 0 1531 1530 0 134 8.636 116.613 2 U 1.498e+04 0.00e+00 m 0 1393 1392 0 135 8.308 116.445 2 U 1.747e+04 0.00e+00 m 0 657 656 0 136 7.786 116.139 2 U 2.176e+04 0.00e+00 m 0 617 616 0 137 8.099 116.085 2 U 1.895e+04 0.00e+00 m 0 20 19 0 139 8.151 115.885 2 U 1.788e+04 0.00e+00 m 0 1822 1821 0 141 7.776 115.520 2 U 2.320e+04 0.00e+00 m 0 736 735 0 143 8.240 115.078 2 U 8.907e+03 0.00e+00 m 0 1799 1798 0 144 8.679 114.860 2 U 1.977e+04 0.00e+00 m 0 1088 1087 0 145 8.097 114.122 2 U 3.640e+04 0.00e+00 m 0 1702 1701 0 148 8.815 113.498 2 U 1.351e+04 0.00e+00 m 0 1022 1021 0 149 7.325 113.199 2 U 3.113e+04 0.00e+00 m 0 682 681 0 152 9.243 110.877 2 U 1.380e+04 0.00e+00 m 0 1241 1240 0 153 8.181 110.899 2 U 2.073e+04 0.00e+00 m 0 1045 1044 0 154 8.201 110.797 2 U 2.076e+04 0.00e+00 m 0 1406 1405 0 155 8.174 110.311 2 U 2.086e+04 0.00e+00 m 0 1738 1737 0 156 7.317 110.190 2 U 2.384e+04 0.00e+00 m 0 205 204 0 157 7.713 110.142 2 U 2.201e+04 0.00e+00 m 0 695 694 0 159 8.347 109.322 2 U 1.513e+04 0.00e+00 m 0 168 167 0 160 8.182 109.109 2 U 3.186e+04 0.00e+00 m 0 1413 1412 0 161 7.872 107.534 2 U 1.795e+04 0.00e+00 m 0 675 674 0 162 7.821 105.715 2 U 1.720e+04 0.00e+00 m 0 886 885 0 163 7.648 104.845 2 U 2.031e+04 0.00e+00 m 0 1178 1177 0 164 6.890 104.249 2 U 2.372e+04 0.00e+00 m 0 979 978 0 165 8.286 117.040 1 U 1.186e+04 0.00e+00 m 0 1672 1671 0 166 8.286 115.305 2 U 8.351e+03 0.00e+00 m 0 0 0 0 167 8.341 123.739 1 U 2.285e+04 0.00e+00 m 0 1365 1364 0 168 8.380 122.510 1 U 1.228e+04 0.00e+00 m 0 1771 1770 0 169 8.305 122.389 1 U 1.952e+04 0.00e+00 m 0 435 434 0 170 8.398 122.837 1 U 1.507e+04 0.00e+00 m 0 831 830 0 171 8.077 120.194 1 U 2.741e+04 0.00e+00 m 0 893 892 0 172 8.105 120.400 1 U 2.310e+04 0.00e+00 m 0 120 119 0