# Number of dimensions 3 #INAME 1 1H #INAME 2 1H #INAME 3 13C 8114 0.877 6.536 12.753 1 U 1.860e+03 0.00e+00 m 0 1144 3289 1145 0 8115 0.877 6.790 12.753 1 U 1.045e+03 0.00e+00 m 0 1144 3288 1145 0 8116 0.877 2.190 12.753 4 U 1.584e+03 0.00e+00 m 0 0 0 0 0 8117 0.877 2.277 12.753 3 U 1.584e+03 0.00e+00 m 0 1144 3328 1145 0 8118 3.928 2.136 55.557 3 U -1.820e+03 0.00e+00 m 0 1375 0 1374 0 8119 3.928 2.348 55.557 4 U -1.727e+03 0.00e+00 m 0 0 0 0 0 8120 3.928 8.489 55.557 3 U -1.039e+03 0.00e+00 m 0 1375 1383 1374 0 8121 3.928 7.839 55.557 3 U -7.850e+02 0.00e+00 m 0 1375 1403 1374 0 8122 1.774 0.777 15.665 4 U 1.277e+04 0.00e+00 m 0 0 0 0 0 8123 1.774 1.171 15.665 3 U 2.422e+03 0.00e+00 m 0 841 781 842 0 8124 1.774 2.211 15.665 3 U 2.803e+03 0.00e+00 m 0 841 834 842 0 8125 1.774 2.617 15.665 3 U 1.024e+03 0.00e+00 m 0 841 838 842 0 8126 1.774 3.012 15.665 3 U 1.905e+03 0.00e+00 m 0 841 789 842 0 8127 1.774 3.788 15.665 3 U 5.865e+03 0.00e+00 m 0 841 774 842 0 8128 1.774 7.971 15.665 4 U 1.032e+03 0.00e+00 m 0 0 0 0 0 8129 1.774 8.210 15.665 4 U 8.790e+02 0.00e+00 m 0 0 0 0 0 8130 1.774 3.657 15.665 3 U 1.758e+03 0.00e+00 m 0 841 832 842 0 8131 4.222 7.314 59.321 4 U -9.430e+02 0.00e+00 m 0 0 0 0 0 8132 4.222 8.420 59.321 4 U -1.144e+03 0.00e+00 m 0 0 0 0 0 8133 1.244 6.905 18.247 3 U 1.634e+03 0.00e+00 m 0 1386 3392 1387 0 8134 1.244 7.673 18.247 4 U 1.277e+03 0.00e+00 m 0 0 0 0 0 8135 1.244 8.496 18.247 3 U 2.397e+03 0.00e+00 m 0 1386 3378 1387 0 8137 1.244 2.118 18.247 3 U 5.318e+03 0.00e+00 m 0 1386 3384 1387 0 8138 1.244 2.360 18.247 4 U 3.828e+03 0.00e+00 m 0 0 0 0 0 8139 1.244 1.337 18.247 4 U 2.113e+03 0.00e+00 m 0 0 0 0 0 8140 1.244 0.526 18.247 4 U 6.941e+03 0.00e+00 m 0 0 0 0 0 8141 1.244 0.336 18.247 4 U 3.333e+03 0.00e+00 m 0 0 0 0 0 8142 1.893 1.963 19.364 3 U 1.005e+03 0.00e+00 m 0 413 308 414 0 8143 1.893 1.146 19.364 4 U 7.240e+02 0.00e+00 m 0 0 0 0 0 8144 1.893 0.983 19.364 3 U 8.590e+02 0.00e+00 m 0 413 478 414 0 8145 1.893 6.922 19.364 1 U 4.294e+03 0.00e+00 m 0 413 4007 414 0 8146 1.893 7.027 19.364 1 U 4.760e+03 0.00e+00 m 0 413 4008 414 0 8147 1.893 8.089 19.364 4 U 1.303e+03 0.00e+00 m 0 0 0 0 0 8148 1.893 7.809 19.364 3 U 1.194e+03 0.00e+00 m 0 413 410 414 0 8150 1.433 4.310 19.522 3 U 1.409e+03 0.00e+00 m 0 335 0 336 0 8151 1.433 7.600 19.522 3 U 5.510e+02 0.00e+00 m 0 335 355 336 0 8152 1.433 1.456 19.522 3 U 1.994e+03 0.00e+00 m 0 335 335 336 0 8153 1.433 1.344 19.522 4 U 2.130e+03 0.00e+00 m 0 0 0 0 0 8154 3.794 2.822 61.108 4 U -2.400e+02 0.00e+00 m 0 0 0 0 0 8155 3.794 0.539 61.108 4 U -1.574e+03 0.00e+00 m 0 0 0 0 0 8156 3.794 0.292 61.108 3 U -9.570e+02 0.00e+00 m 0 1347 3430 1346 0 8158 3.794 8.603 61.108 3 U -6.930e+02 0.00e+00 m 0 494 556 493 0 8159 0.884 2.267 20.195 3 U 1.295e+03 0.00e+00 m 0 722 711 727 0 8160 0.884 7.782 20.195 3 U 1.066e+03 0.00e+00 m 0 722 716 727 0 8161 1.611 8.236 20.524 4 U 1.672e+03 0.00e+00 m 0 0 0 0 0 8163 1.611 7.600 20.524 3 U 1.251e+03 0.00e+00 m 0 1055 1052 1056 0 8164 1.611 7.306 20.524 1 U 3.624e+03 0.00e+00 m 0 1055 3249 1056 0 8165 1.611 7.037 20.524 1 U 6.644e+03 0.00e+00 m 0 1055 3248 1056 0 8166 1.611 4.102 20.524 3 U 1.317e+03 0.00e+00 m 0 1055 3283 1056 0 8167 1.611 3.784 20.524 3 U 7.070e+02 0.00e+00 m 0 1055 1047 1056 0 8168 1.611 0.763 20.524 3 U 1.178e+03 0.00e+00 m 0 1055 3479 1056 0 8169 1.611 0.592 20.524 3 U 5.700e+02 0.00e+00 m 0 1055 3480 1056 0 8170 1.611 1.032 20.524 4 U 6.450e+02 0.00e+00 m 0 0 0 0 0 8171 1.611 1.949 20.524 4 U 7.010e+02 0.00e+00 m 0 0 0 0 0 8172 1.611 2.328 20.524 4 U 5.890e+02 0.00e+00 m 0 0 0 0 0 8173 1.611 2.720 20.524 4 U 2.155e+03 0.00e+00 m 0 0 0 0 0 8174 1.611 2.866 20.524 3 U 1.761e+03 0.00e+00 m 0 1055 3269 1056 0 8175 1.611 6.826 20.524 1 U 2.028e+03 0.00e+00 m 0 1055 3288 1056 0 8176 1.611 6.548 20.524 1 U 7.520e+02 0.00e+00 m 0 1055 3289 1056 0 8177 -0.070 0.937 21.489 3 U 6.710e+02 0.00e+00 m 0 1072 1067 1077 0 8178 -0.070 2.087 21.489 3 U 7.500e+02 0.00e+00 m 0 1072 3367 1077 0 8179 -0.070 2.770 21.489 3 U 9.430e+02 0.00e+00 m 0 1072 3287 1077 0 8180 -0.070 4.057 21.489 3 U 9.780e+02 0.00e+00 m 0 1072 1064 1077 0 8181 -0.070 3.807 21.489 3 U 6.120e+02 0.00e+00 m 0 1072 1095 1077 0 8182 -0.070 6.528 21.489 1 U 1.427e+03 0.00e+00 m 0 1072 3289 1077 0 8183 -0.070 6.801 21.489 1 U 1.968e+03 0.00e+00 m 0 1072 3288 1077 0 8184 -0.643 1.815 21.813 1 U 1.065e+03 0.00e+00 m 0 646 3914 651 0 8185 -0.643 3.254 21.813 3 U 7.880e+02 0.00e+00 m 0 646 638 651 0 8186 -0.643 0.745 21.813 1 U 2.326e+03 0.00e+00 m 0 646 3915 651 0 8187 -0.643 1.000 21.813 1 U 7.730e+02 0.00e+00 m 0 646 3916 651 0 8188 0.982 2.281 21.813 3 U 4.385e+03 0.00e+00 m 0 1431 3370 1436 0 8189 0.982 6.532 21.813 1 U 2.136e+03 0.00e+00 m 0 1431 3289 1436 0 8190 0.982 6.772 21.813 4 U 6.210e+02 0.00e+00 m 0 0 0 0 0 8191 0.982 7.848 21.813 3 U 6.090e+02 0.00e+00 m 0 1431 0 1436 0 8192 0.982 8.392 21.813 3 U 5.190e+02 0.00e+00 m 0 1431 1443 1436 0 8194 0.905 4.432 21.813 3 U 1.640e+03 0.00e+00 m 0 721 718 723 0 8197 0.901 1.307 21.813 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59.720 4 U 4.601e+03 0.00e+00 m 0 0 0 0 0 8326 1.535 1.449 59.720 4 U 2.940e+03 0.00e+00 m 0 0 0 0 0 8327 1.535 4.215 59.720 4 U 2.261e+03 0.00e+00 m 0 0 0 0 0 8329 6.551 -0.102 117.959 1 U 1.090e+03 0.00e+00 m 0 289 4072 294 0 8330 6.551 0.931 117.959 1 U 2.980e+03 0.00e+00 m 0 289 4067 294 0 8331 6.551 1.849 117.959 3 U 6.820e+02 0.00e+00 m 0 289 4070 294 0 8332 6.551 2.221 117.959 3 U 1.066e+03 0.00e+00 m 0 289 371 294 0 8333 6.551 3.808 117.959 3 U 1.144e+03 0.00e+00 m 0 289 320 294 0 8334 6.551 4.019 117.959 4 U 9.620e+02 0.00e+00 m 0 0 0 0 0 8335 6.551 6.533 117.959 3 U 1.327e+03 0.00e+00 m 0 289 289 294 0 8336 6.551 6.810 117.959 3 U 1.954e+03 0.00e+00 m 0 289 288 294 0 8337 6.551 6.925 117.959 4 U 1.840e+03 0.00e+00 m 0 0 0 0 0 8338 6.828 2.285 132.519 3 U 6.030e+02 0.00e+00 m 0 288 328 292 0 8339 6.828 -0.093 132.519 1 U 1.157e+03 0.00e+00 m 0 288 4072 292 0 8340 6.828 0.925 132.519 1 U 1.468e+03 0.00e+00 m 0 288 4067 292 0 8341 6.828 1.568 132.519 3 U 8.190e+02 0.00e+00 m 0 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