# Number of dimensions 3 #INAME 1 1H #INAME 2 1H #INAME 3 13C 2 4.348 7.113 63.905 2 U 2.048e+03 0.00e+00 m 0 0 0 0 0 3 4.339 4.743 63.905 2 U -1.431e+03 0.00e+00 m 0 0 0 0 0 4 2.260 4.210 63.789 2 U 2.498e+03 0.00e+00 m 0 0 0 0 0 5 1.936 4.217 63.757 2 U 4.874e+03 0.00e+00 m 0 0 0 0 0 6 4.320 3.914 63.759 2 U 8.669e+03 0.00e+00 m 0 0 0 0 0 7 3.904 3.903 63.852 2 U 6.459e+03 0.00e+00 m 0 0 0 0 0 8 1.912 3.895 63.786 2 U 1.834e+03 0.00e+00 m 0 0 0 0 0 9 0.952 3.894 63.788 2 U 4.022e+03 0.00e+00 m 0 0 0 0 0 10 0.858 3.893 63.791 2 U 2.056e+03 0.00e+00 m 0 0 0 0 0 11 3.773 3.783 63.896 2 U 7.885e+03 0.00e+00 m 0 0 0 0 0 12 4.357 3.762 63.862 2 U 5.126e+03 0.00e+00 m 0 0 0 0 0 13 4.318 3.768 63.866 2 U 1.792e+03 0.00e+00 m 0 0 0 0 0 14 4.348 2.331 22.505 2 U -9.260e+02 0.00e+00 m 0 0 0 0 0 15 4.117 1.237 63.555 2 U 9.350e+02 0.00e+00 m 0 0 0 0 0 16 1.087 1.239 64.202 2 U 1.250e+02 0.00e+00 m 0 0 0 0 0 17 4.358 1.158 63.963 2 U 3.157e+03 0.00e+00 m 0 0 0 0 0 18 4.306 1.154 63.978 2 U 3.885e+03 0.00e+00 m 0 0 0 0 0 19 3.717 1.155 22.415 2 U -6.379e+03 0.00e+00 m 0 0 0 0 0 20 0.882 0.841 64.084 2 U 2.743e+03 0.00e+00 m 0 0 0 0 0 21 0.811 0.823 22.473 2 U -4.090e+03 0.00e+00 m 0 0 0 0 0 22 0.843 0.777 22.437 2 U -1.594e+03 0.00e+00 m 0 0 0 0 0 23 0.715 0.727 22.453 2 U -1.399e+03 0.00e+00 m 0 0 0 0 0 24 0.658 0.557 22.451 2 U -2.073e+03 0.00e+00 m 0 0 0 0 0 25 0.550 0.533 22.454 2 U -4.107e+03 0.00e+00 m 0 0 0 0 0 26 0.502 0.512 22.454 2 U -2.719e+03 0.00e+00 m 0 0 0 0 0 27 4.336 -1.086 22.493 2 U -2.448e+03 0.00e+00 m 0 0 0 0 0 28 4.300 4.742 22.493 2 U -1.780e+03 0.00e+00 m 0 0 0 0 0 29 4.337 4.640 63.641 2 U 1.261e+03 0.00e+00 m 0 0 0 0 0 30 4.309 4.631 63.632 2 U 1.043e+03 0.00e+00 m 0 0 0 0 0 31 4.350 4.528 63.473 2 U 1.323e+03 0.00e+00 m 0 0 0 0 0 32 4.355 4.485 63.473 2 U -1.349e+03 0.00e+00 m 0 0 0 0 0 33 3.640 4.367 63.550 2 U 5.302e+03 0.00e+00 m 0 0 0 0 0 34 1.952 4.362 63.465 2 U 2.449e+04 0.00e+00 m 0 0 0 0 0 35 4.352 4.360 63.443 2 U 5.212e+04 0.00e+00 m 0 0 0 0 0 36 3.721 4.354 63.506 2 U 7.226e+03 0.00e+00 m 0 0 0 0 0 37 2.146 4.322 63.562 2 U 6.178e+03 0.00e+00 m 0 0 0 0 0 38 1.739 4.323 63.625 2 U 3.817e+03 0.00e+00 m 0 0 0 0 0 39 1.544 4.331 63.499 2 U 1.568e+03 0.00e+00 m 0 0 0 0 0 40 4.343 4.241 63.231 2 U 1.100e+01 0.00e+00 m 0 0 0 0 0 41 4.353 4.189 63.479 2 U 1.456e+03 0.00e+00 m 0 0 0 0 0 42 4.185 4.127 63.561 2 U 2.365e+04 0.00e+00 m 0 0 0 0 0 43 4.115 4.125 63.491 2 U 1.597e+04 0.00e+00 m 0 0 0 0 0 44 1.114 4.124 63.514 2 U 1.756e+04 0.00e+00 m 0 0 0 0 0 45 4.164 3.957 63.584 2 U 8.510e+02 0.00e+00 m 0 0 0 0 0 46 4.138 3.956 63.538 2 U 1.291e+03 0.00e+00 m 0 0 0 0 0 47 3.838 3.882 63.538 2 U -1.760e+02 0.00e+00 m 0 0 0 0 0 48 3.769 3.784 63.538 2 U -1.891e+03 0.00e+00 m 0 0 0 0 0 49 4.324 1.272 63.854 2 U 4.920e+02 0.00e+00 m 0 0 0 0 0 50 4.228 1.180 22.028 2 U -2.282e+04 0.00e+00 m 0 0 0 0 0 51 4.187 1.160 22.046 2 U -6.443e+03 0.00e+00 m 0 0 0 0 0 52 4.115 1.123 22.268 2 U -2.728e+04 0.00e+00 m 0 0 0 0 0 53 4.245 1.060 63.231 2 U 2.900e+02 0.00e+00 m 0 0 0 0 0 54 1.087 1.007 63.879 2 U 1.370e+02 0.00e+00 m 0 0 0 0 0 55 4.108 0.933 22.288 2 U -6.000e+00 0.00e+00 m 0 0 0 0 0 56 0.908 0.898 63.690 2 U 2.538e+03 0.00e+00 m 0 0 0 0 0 57 4.375 -1.070 63.397 2 U 1.680e+02 0.00e+00 m 0 0 0 0 0 58 3.785 4.364 63.287 2 U 5.029e+03 0.00e+00 m 0 0 0 0 0 59 3.583 4.356 63.362 2 U 5.592e+03 0.00e+00 m 0 0 0 0 0 60 2.228 4.360 63.380 2 U 2.301e+04 0.00e+00 m 0 0 0 0 0 61 1.834 4.359 63.360 2 U 2.079e+04 0.00e+00 m 0 0 0 0 0 62 1.152 1.450 21.907 2 U -1.560e+03 0.00e+00 m 0 0 0 0 0 63 1.136 1.390 63.437 2 U 4.080e+02 0.00e+00 m 0 0 0 0 0 64 1.145 1.330 21.892 2 U -4.215e+03 0.00e+00 m 0 0 0 0 0 65 4.233 1.302 62.908 2 U 2.790e+02 0.00e+00 m 0 0 0 0 0 66 4.361 1.270 63.185 2 U 1.319e+03 0.00e+00 m 0 0 0 0 0 67 3.820 1.253 21.794 2 U -1.202e+03 0.00e+00 m 0 0 0 0 0 68 1.248 1.264 21.811 2 U -1.480e+03 0.00e+00 m 0 0 0 0 0 69 1.169 1.274 21.964 2 U -1.672e+03 0.00e+00 m 0 0 0 0 0 70 4.358 1.158 21.817 2 U -2.822e+04 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