# Number of dimensions 3 #INAME 1 1H #INAME 2 1H #INAME 3 13C 2 8.415 8.415 136.995 1 U 2.013e+05 0.00e+00 m 0 202 202 199 0 3 8.367 8.367 137.096 1 U 1.572e+05 0.00e+00 m 0 671 671 668 0 4 8.206 8.206 138.001 1 U 5.572e+04 0.00e+00 m 0 481 481 478 0 5 7.208 7.208 120.329 1 U 1.389e+05 0.00e+00 m 0 670 670 666 0 6 7.114 7.114 120.329 1 U 1.890e+05 0.00e+00 m 0 201 201 197 0 7 6.858 6.858 118.552 1 U 2.804e+04 0.00e+00 m 0 480 480 476 0 8 6.645 6.645 118.183 4 U 1.095e+05 0.00e+00 m 0 803 803 807 0 9 6.806 6.806 131.999 1 U 3.427e+04 0.00e+00 m 0 780 780 784 0 10 6.872 6.872 130.289 1 U 3.013e+04 0.00e+00 m 0 781 781 786 0 11 6.990 6.990 130.590 1 U 3.581e+04 0.00e+00 m 0 1144 1144 1149 0 12 6.952 6.952 132.871 4 U 8.792e+04 0.00e+00 m 0 804 804 809 0 13 6.948 6.948 132.099 1 U 6.581e+04 0.00e+00 m 0 1143 1143 1147 0 14 7.260 7.260 129.953 1 U 6.390e+04 0.00e+00 m 0 232 232 231 0 15 7.322 7.322 131.831 1 U 8.741e+04 0.00e+00 m 0 224 224 229 0 16 7.228 7.228 131.965 1 U 1.104e+05 0.00e+00 m 0 223 223 227 0 17 7.165 7.189 129.977 1 U 7.533e+03 0.00e+00 m 0 789 789 788 0 18 7.114 4.591 120.329 3 U 6.260e+02 0.00e+00 m 0 201 190 197 0 19 7.114 3.139 120.329 3 U 1.666e+03 0.00e+00 m 0 201 194 197 0 20 7.114 0.904 120.329 3 U 4.920e+02 0.00e+00 m 0 201 156 197 0 21 8.415 0.873 136.995 3 U 6.350e+02 0.00e+00 m 0 202 156 199 0 22 7.228 4.591 131.965 3 U 9.280e+02 0.00e+00 m 0 223 218 227 0 23 7.228 3.149 131.965 3 U 1.526e+03 0.00e+00 m 0 223 220 227 0 24 7.228 3.047 131.965 3 U 1.445e+03 0.00e+00 m 0 223 221 227 0 25 7.228 0.904 131.965 3 U 7.420e+02 0.00e+00 m 0 223 291 227 0 26 7.322 3.118 131.831 3 U 5.630e+02 0.00e+00 m 0 224 220 229 0 28 7.322 0.914 131.831 3 U 5.480e+02 0.00e+00 m 0 224 291 229 0 29 7.260 0.924 129.953 4 U 5.900e+02 0.00e+00 m 0 0 0 0 0 30 6.858 5.303 118.552 3 U 1.786e+03 0.00e+00 m 0 480 469 476 0 31 6.858 5.191 118.552 3 U 9.480e+02 0.00e+00 m 0 480 1975 476 0 32 6.858 3.007 118.552 3 U 8.740e+02 0.00e+00 m 0 480 471 476 0 33 6.858 2.875 118.552 3 U 4.550e+02 0.00e+00 m 0 480 472 476 0 34 6.858 2.285 118.552 4 U 5.480e+02 0.00e+00 m 0 480 448 476 0 35 6.858 1.960 118.552 4 U 6.910e+02 0.00e+00 m 0 480 445 476 0 36 6.858 1.716 118.552 3 U 7.490e+02 0.00e+00 m 0 480 491 476 0 37 6.858 1.513 118.552 4 U 1.458e+03 0.00e+00 m 0 0 0 0 0 38 6.858 1.341 118.552 3 U 7.210e+02 0.00e+00 m 0 480 1982 476 0 39 6.858 0.934 118.552 4 U 6.820e+02 0.00e+00 m 0 0 0 0 0 40 6.858 0.812 118.552 4 U 7.590e+02 0.00e+00 m 0 0 0 0 0 41 6.858 0.396 118.552 4 U 4.480e+02 0.00e+00 m 0 480 1396 476 0 42 6.858 7.060 118.552 4 U 1.994e+03 0.00e+00 m 0 0 0 0 0 43 6.858 7.182 118.552 4 U 2.053e+03 0.00e+00 m 0 0 0 0 0 44 6.858 8.259 118.552 3 U 5.290e+02 0.00e+00 m 0 480 467 476 0 45 7.228 8.188 131.965 3 U 6.070e+02 0.00e+00 m 0 223 216 227 0 46 8.206 0.853 138.001 4 U 7.300e+02 0.00e+00 m 0 481 1374 478 0 47 8.206 0.396 138.001 4 U 6.140e+02 0.00e+00 m 0 481 1396 478 0 49 7.208 4.591 120.329 3 U 8.480e+02 0.00e+00 m 0 670 659 666 0 50 7.208 3.271 120.329 3 U 1.458e+03 0.00e+00 m 0 670 661 666 0 51 7.208 3.159 120.329 3 U 1.982e+03 0.00e+00 m 0 670 662 666 0 52 7.208 1.727 120.329 4 U 5.240e+02 0.00e+00 m 0 670 591 0 0 53 7.208 1.432 120.329 3 U 7.530e+02 0.00e+00 m 0 670 614 666 0 54 7.208 0.883 120.329 3 U 1.431e+03 0.00e+00 m 0 670 619 666 0 55 8.367 0.883 137.096 3 U 1.215e+03 0.00e+00 m 0 671 619 668 0 56 8.367 1.513 137.096 3 U 5.200e+02 0.00e+00 m 0 671 613 668 0 57 6.806 8.320 131.999 3 U 7.750e+02 0.00e+00 m 0 780 766 784 0 58 6.806 5.343 131.999 3 U 7.340e+02 0.00e+00 m 0 780 775 784 0 59 6.806 4.917 131.999 4 U 5.550e+02 0.00e+00 m 0 0 0 0 0 60 6.806 4.510 131.999 3 U 2.740e+02 0.00e+00 m 0 780 1161 784 0 61 6.806 4.002 131.999 3 U 3.300e+02 0.00e+00 m 0 780 746 784 0 62 6.806 3.098 131.999 3 U 1.883e+03 0.00e+00 m 0 780 777 784 0 63 6.806 2.976 131.999 3 U 1.766e+03 0.00e+00 m 0 780 778 784 0 64 6.806 1.859 131.999 3 U 9.350e+02 0.00e+00 m 0 780 1795 784 0 65 6.806 1.706 131.999 3 U 1.032e+03 0.00e+00 m 0 780 748 784 0 66 6.806 1.523 131.999 3 U 9.380e+02 0.00e+00 m 0 780 639 784 0 67 6.806 1.371 131.999 3 U 3.550e+03 0.00e+00 m 0 780 749 784 0 68 6.806 1.117 131.999 4 U 1.008e+03 0.00e+00 m 0 0 0 0 0 69 6.806 0.873 131.999 3 U 5.198e+03 0.00e+00 m 0 780 754 784 0 70 6.806 0.518 131.999 3 U 1.427e+03 0.00e+00 m 0 780 1173 784 0 71 6.806 7.243 131.999 4 U 1.506e+03 0.00e+00 m 0 780 1190 784 0 72 6.872 7.192 130.289 3 U 5.696e+03 0.00e+00 m 0 781 789 786 0 73 6.872 1.869 130.289 3 U 1.065e+03 0.00e+00 m 0 781 1795 786 0 74 6.872 1.747 130.289 4 U 9.640e+02 0.00e+00 m 0 0 0 0 0 75 6.872 1.381 130.289 3 U 1.429e+03 0.00e+00 m 0 781 749 786 0 76 6.872 1.056 130.289 3 U 1.261e+03 0.00e+00 m 0 781 1886 786 0 77 6.872 0.883 130.289 3 U 4.067e+03 0.00e+00 m 0 781 754 786 0 78 6.872 0.518 130.289 3 U 7.450e+02 0.00e+00 m 0 781 1173 786 0 79 7.165 6.887 129.977 3 U 4.879e+03 0.00e+00 m 0 789 781 788 0 80 7.165 1.046 129.977 3 U 1.099e+03 0.00e+00 m 0 789 1886 788 0 81 7.165 0.873 129.977 3 U 1.317e+03 0.00e+00 m 0 789 754 788 0 82 7.165 0.650 129.977 3 U 9.650e+02 0.00e+00 m 0 789 1935 788 0 106 6.948 8.371 132.099 3 U 1.570e+03 0.00e+00 m 0 1143 878 1147 0 107 6.948 9.046 132.099 3 U 1.630e+03 0.00e+00 m 0 1143 1136 1147 0 108 6.948 5.416 132.099 3 U 1.800e+03 0.00e+00 m 0 1143 1138 1147 0 109 6.948 4.335 132.099 4 U 2.090e+03 0.00e+00 m 0 0 0 0 0 110 6.948 3.913 132.099 3 U 1.401e+03 0.00e+00 m 0 1143 881 1147 0 111 6.948 3.558 132.099 3 U 4.880e+02 0.00e+00 m 0 1143 1111 1147 0 112 6.948 2.747 132.099 3 U 2.972e+03 0.00e+00 m 0 1143 1140 1147 0 113 6.948 2.426 132.099 3 U 2.016e+03 0.00e+00 m 0 1143 1141 1147 0 114 6.948 1.785 132.099 3 U 1.568e+03 0.00e+00 m 0 1143 845 1147 0 115 6.948 0.822 132.099 4 U 1.228e+03 0.00e+00 m 0 0 0 0 0 116 6.990 8.405 130.590 4 U 1.161e+03 0.00e+00 m 0 0 0 0 0 117 6.990 4.335 130.590 4 U 1.163e+03 0.00e+00 m 0 0 0 0 0 118 6.990 3.913 130.590 3 U 1.050e+03 0.00e+00 m 0 1144 881 1149 0 119 6.990 3.558 130.590 3 U 1.018e+03 0.00e+00 m 0 1144 1111 1149 0 120 6.990 1.819 130.590 4 U 1.721e+03 0.00e+00 m 0 1144 845 0 0 121 6.990 1.565 130.590 4 U 6.500e+02 0.00e+00 m 0 0 0 0 0 122 6.990 1.295 130.590 4 U 5.720e+02 0.00e+00 m 0 0 0 0 0 123 6.990 0.873 130.590 4 U 5.510e+02 0.00e+00 m 0 0 0 0 0 124 6.952 8.333 132.871 1 U 1.761e+03 0.00e+00 m 0 804 0 809 0 125 6.952 6.648 132.871 1 U 2.420e+04 0.00e+00 m 0 804 803 809 0 126 7.322 2.313 131.831 1 U 4.400e+02 0.00e+00 m 0 224 0 229 0 127 8.206 8.405 138.001 1 U 4.612e+03 0.00e+00 m 0 481 0 478 0 128 6.645 6.955 118.183 1 U 2.895e+04 0.00e+00 m 0 803 804 807 0 129 6.645 4.823 118.183 1 U 5.810e+02 0.00e+00 m 0 803 0 807 0 130 6.645 4.276 118.183 1 U 5.780e+02 0.00e+00 m 0 803 1242 807 0 131 6.952 5.370 132.871 1 U 1.231e+03 0.00e+00 m 0 804 775 809 0 132 6.952 4.879 132.871 1 U 1.285e+03 0.00e+00 m 0 804 798 809 0 133 6.952 0.923 132.871 1 U 2.863e+03 0.00e+00 m 0 804 0 809 0 134 6.952 1.420 132.871 1 U 1.516e+03 0.00e+00 m 0 804 1200 809 0 135 6.952 1.665 132.871 1 U 2.283e+03 0.00e+00 m 0 804 1195 809 0 136 6.952 1.935 132.871 1 U 1.504e+03 0.00e+00 m 0 804 0 809 0 137 6.952 2.719 132.871 1 U 2.518e+03 0.00e+00 m 0 804 0 809 0 138 6.952 2.441 132.871 1 U 1.668e+03 0.00e+00 m 0 804 0 809 0 139 6.952 3.166 132.871 1 U 2.671e+03 0.00e+00 m 0 804 800 809 0 140 6.645 3.158 118.183 1 U 8.490e+02 0.00e+00 m 0 803 800 807 0 143 6.645 2.702 118.183 1 U 6.140e+02 0.00e+00 m 0 803 0 807 0 144 6.645 3.023 118.183 1 U 7.540e+02 0.00e+00 m 0 803 1202 807 0 145 6.645 0.948 118.183 1 U 5.407e+03 0.00e+00 m 0 803 0 807 0 146 6.645 1.395 118.183 1 U 9.350e+02 0.00e+00 m 0 803 0 807 0 147 6.645 1.614 118.183 1 U 1.012e+03 0.00e+00 m 0 803 0 807 0 148 6.645 1.802 118.183 1 U 6.820e+02 0.00e+00 m 0 803 0 807 0 149 6.645 1.971 118.183 1 U 5.650e+02 0.00e+00 m 0 803 1194 807 0 150 7.165 1.871 129.977 1 U 4.250e+02 0.00e+00 m 0 789 0 788 0 151 8.367 4.766 137.096 1 U 8.890e+02 0.00e+00 m 0 671 1866 668 0