# Number of dimensions 3 #INAME 1 13C #INAME 2 H1 #INAME 3 1H 4525 119.732 4.584 7.005 2 U 1.764e+03 0.00e+00 m 0 148 141 152 0 4526 119.732 3.058 7.005 2 U 3.133e+03 0.00e+00 m 0 148 143 152 0 4527 119.732 3.057 7.005 2 U 3.133e+03 0.00e+00 m 0 148 144 152 0 4528 119.732 7.005 7.005 2 U 3.184e+05 0.00e+00 m 0 148 152 152 0 4532 119.628 4.722 7.164 2 U 2.885e+03 0.00e+00 m 0 243 236 247 0 4533 119.628 3.329 7.164 2 U 1.230e+03 0.00e+00 m 0 243 238 247 0 4534 119.628 2.964 7.164 2 U 1.234e+03 0.00e+00 m 0 243 239 247 0 4535 119.628 7.164 7.164 2 U 1.372e+05 0.00e+00 m 0 243 247 247 0 4539 132.711 4.932 6.819 2 U 2.845e+03 0.00e+00 m 0 557 548 553 0 4540 132.711 2.513 6.819 2 U 1.067e+04 0.00e+00 m 0 557 550 553 0 4541 132.711 2.856 6.819 2 U 8.735e+03 0.00e+00 m 0 557 551 553 0 4542 132.711 6.819 6.819 2 U 9.370e+04 0.00e+00 m 0 557 553 553 0 4543 132.711 6.660 6.819 2 U 2.592e+04 0.00e+00 m 0 557 554 553 0 4544 117.475 6.819 6.660 2 U 2.608e+04 0.00e+00 m 0 559 553 554 0 4545 117.475 6.660 6.660 2 U 1.101e+05 0.00e+00 m 0 559 554 554 0 4546 119.560 4.634 7.094 2 U 7.630e+02 0.00e+00 m 0 698 691 702 0 4547 119.560 3.107 7.094 2 U 2.592e+03 0.00e+00 m 0 698 693 702 0 4548 119.560 3.202 7.094 2 U 1.602e+03 0.00e+00 m 0 698 694 702 0 4549 119.560 7.094 7.094 2 U 2.556e+05 0.00e+00 m 0 698 702 702 0 4553 131.214 5.155 7.013 2 U 1.389e+03 0.00e+00 m 0 779 770 775 0 4554 131.214 2.587 7.013 2 U 5.063e+03 0.00e+00 m 0 779 772 775 0 4555 131.214 2.550 7.013 2 U 5.023e+03 0.00e+00 m 0 779 773 775 0 4556 131.214 7.013 7.013 2 U 5.559e+04 0.00e+00 m 0 779 775 775 0 4557 131.214 7.343 7.013 2 U 1.832e+04 0.00e+00 m 0 779 776 775 0 4558 131.214 7.319 7.013 2 U 1.257e+04 0.00e+00 m 0 779 784 775 0 4559 131.199 7.013 7.343 2 U 1.147e+04 0.00e+00 m 0 781 775 776 0 4560 131.199 7.343 7.343 2 U 5.545e+04 0.00e+00 m 0 781 776 776 0 4561 131.199 7.319 7.343 2 U 3.255e+04 0.00e+00 m 0 781 784 776 0 4562 129.898 7.013 7.319 2 U 2.885e+03 0.00e+00 m 0 783 775 784 0 4563 129.898 7.343 7.319 2 U 6.532e+04 0.00e+00 m 0 783 776 784 0 4564 129.898 7.319 7.319 2 U 6.232e+04 0.00e+00 m 0 783 784 784 0 4565 132.473 4.656 7.155 2 U 3.190e+03 0.00e+00 m 0 965 956 961 0 4566 132.473 3.165 7.155 2 U 7.076e+03 0.00e+00 m 0 965 958 961 0 4567 132.473 2.804 7.155 2 U 6.116e+03 0.00e+00 m 0 965 959 961 0 4568 132.473 7.155 7.155 2 U 8.393e+04 0.00e+00 m 0 965 961 961 0 4569 132.473 7.206 7.155 2 U 4.099e+04 0.00e+00 m 0 965 962 961 0 4570 132.473 6.934 7.155 2 U 2.423e+03 0.00e+00 m 0 965 970 961 0 4571 131.275 7.155 7.206 2 U 3.573e+04 0.00e+00 m 0 967 961 962 0 4572 131.275 7.206 7.206 2 U 8.174e+04 0.00e+00 m 0 967 962 962 0 4573 131.275 6.934 7.206 2 U 1.564e+04 0.00e+00 m 0 967 970 962 0 4574 127.989 7.155 6.934 2 U 9.800e+03 0.00e+00 m 0 969 961 970 0 4575 127.989 7.206 6.934 2 U 2.540e+04 0.00e+00 m 0 969 962 970 0 4576 127.989 6.934 6.934 2 U 1.051e+05 0.00e+00 m 0 969 970 970 0 4577 132.797 4.398 7.329 2 U 8.314e+03 0.00e+00 m 0 1167 1158 1163 0 4578 132.797 2.984 7.329 2 U 5.513e+03 0.00e+00 m 0 1167 1160 1163 0 4579 132.797 3.319 7.329 2 U 4.605e+03 0.00e+00 m 0 1167 1161 1163 0 4580 132.797 7.329 7.329 2 U 2.705e+05 0.00e+00 m 0 1167 1163 1163 0 4581 132.797 6.802 7.329 2 U 4.851e+04 0.00e+00 m 0 1167 1164 1163 0 4582 117.885 7.329 6.802 2 U 6.195e+04 0.00e+00 m 0 1169 1163 1164 0 4583 117.885 6.802 6.802 2 U 4.115e+05 0.00e+00 m 0 1169 1164 1164 0 4584 132.978 5.049 7.200 2 U 5.939e+03 0.00e+00 m 0 1336 1327 1332 0 4585 132.978 3.169 7.200 2 U 9.075e+03 0.00e+00 m 0 1336 1329 1332 0 4586 132.978 2.910 7.200 2 U 8.655e+03 0.00e+00 m 0 1336 1330 1332 0 4587 132.978 7.200 7.200 2 U 1.185e+05 0.00e+00 m 0 1336 1332 1332 0 4588 132.978 7.027 7.200 2 U 3.214e+04 0.00e+00 m 0 1336 1333 1332 0 4589 132.978 6.929 7.200 2 U 4.959e+03 0.00e+00 m 0 1336 1341 1332 0 4590 130.379 7.200 7.027 2 U 3.926e+04 0.00e+00 m 0 1338 1332 1333 0 4591 130.379 7.027 7.027 2 U 1.973e+05 0.00e+00 m 0 1338 1333 1333 0 4592 130.379 6.929 7.027 2 U 3.523e+04 0.00e+00 m 0 1338 1341 1333 0 4593 128.254 7.200 6.929 2 U 1.382e+04 0.00e+00 m 0 1340 1332 1341 0 4594 128.254 7.027 6.929 2 U 2.402e+04 0.00e+00 m 0 1340 1333 1341 0 4595 128.254 6.929 6.929 2 U 9.151e+04 0.00e+00 m 0 1340 1341 1341 0 4596 132.711 8.674 6.819 1 U 9.920e+03 0.00e+00 m 0 557 0 553 0 4597 132.711 8.345 6.819 1 U 6.400e+01 0.00e+00 m 0 557 0 553 0 4598 132.711 9.436 6.819 1 U 1.398e+03 0.00e+00 m 0 557 0 553 0 4599 117.475 8.350 6.660 1 U 2.708e+03 0.00e+00 m 0 559 0 554 0 4600 117.475 8.679 6.660 1 U 1.266e+03 0.00e+00 m 0 559 0 554 0 4601 117.475 9.128 6.660 1 U 1.843e+03 0.00e+00 m 0 559 0 554 0 4603 132.711 4.602 6.819 1 U 2.596e+03 0.00e+00 m 0 557 0 553 0 4604 132.711 3.531 6.819 1 U 2.186e+03 0.00e+00 m 0 557 0 553 0 4605 132.711 1.951 6.819 1 U 2.753e+03 0.00e+00 m 0 557 0 553 0 4606 132.711 1.794 6.819 1 U 2.323e+03 0.00e+00 m 0 557 0 553 0 4607 132.711 1.673 6.819 1 U 7.030e+02 0.00e+00 m 0 557 0 553 0 4608 132.711 1.517 6.819 1 U 4.918e+03 0.00e+00 m 0 557 0 553 0 4609 132.711 1.325 6.819 1 U 6.083e+03 0.00e+00 m 0 557 0 553 0 4610 132.711 1.224 6.819 1 U 1.727e+03 0.00e+00 m 0 557 0 553 0 4611 132.711 0.790 6.819 1 U 4.326e+03 0.00e+00 m 0 557 0 553 0 4612 132.711 0.704 6.819 1 U 3.485e+03 0.00e+00 m 0 557 0 553 0 4613 132.711 0.244 6.819 1 U 2.230e+03 0.00e+00 m 0 557 0 553 0 4614 117.475 3.956 6.660 1 U 1.463e+03 0.00e+00 m 0 559 0 554 0 4615 117.475 3.537 6.660 1 U 1.278e+03 0.00e+00 m 0 559 0 554 0 4616 117.475 2.855 6.660 1 U 8.190e+02 0.00e+00 m 0 559 0 554 0 4617 117.475 2.506 6.660 1 U 1.182e+03 0.00e+00 m 0 559 0 554 0 4618 117.475 1.961 6.660 1 U 8.370e+02 0.00e+00 m 0 559 0 554 0 4619 117.475 1.683 6.660 1 U 1.781e+03 0.00e+00 m 0 559 0 554 0 4620 117.475 1.512 6.660 1 U 1.082e+04 0.00e+00 m 0 559 0 554 0 4621 117.475 1.320 6.660 1 U 4.133e+03 0.00e+00 m 0 559 0 554 0 4622 117.475 1.229 6.660 1 U 1.100e+03 0.00e+00 m 0 559 0 554 0 4623 117.475 0.901 6.660 1 U 4.059e+03 0.00e+00 m 0 559 0 554 0 4624 117.475 0.724 6.660 1 U 1.006e+04 0.00e+00 m 0 559 0 554 0 4625 117.475 0.244 6.660 1 U 2.552e+03 0.00e+00 m 0 559 0 554 0 4626 119.628 1.628 7.164 1 U 6.870e+02 0.00e+00 m 0 243 0 247 0 4627 119.628 1.118 7.164 1 U 4.730e+02 0.00e+00 m 0 243 0 247 0 4628 119.560 2.421 7.094 1 U 7.090e+02 0.00e+00 m 0 698 0 702 0 4629 119.560 2.557 7.094 1 U 1.000e+00 0.00e+00 m 0 698 0 702 0 4630 131.214 4.629 7.013 1 U 1.568e+03 0.00e+00 m 0 779 0 775 0 4631 131.199 4.629 7.343 1 U 1.329e+03 0.00e+00 m 0 781 0 776 0 4632 129.898 4.645 7.319 1 U 6.750e+02 0.00e+00 m 0 783 0 784 0 4633 131.214 1.825 7.013 1 U 1.520e+03 0.00e+00 m 0 779 0 775 0 4634 131.214 1.201 7.013 1 U 3.474e+03 0.00e+00 m 0 779 0 775 0 4635 131.214 1.059 7.013 1 U 1.266e+03 0.00e+00 m 0 779 0 775 0 4636 131.199 2.564 7.343 1 U 7.630e+02 0.00e+00 m 0 781 0 776 0 4637 131.199 1.810 7.343 1 U 6.560e+02 0.00e+00 m 0 781 0 776 0 4638 131.199 1.189 7.343 1 U 1.136e+03 0.00e+00 m 0 781 0 776 0 4639 131.199 1.516 7.343 1 U 8.470e+02 0.00e+00 m 0 781 0 776 0 4640 129.898 2.734 7.319 1 U 8.350e+02 0.00e+00 m 0 783 0 784 0 4641 129.898 2.551 7.319 1 U 6.480e+02 0.00e+00 m 0 783 0 784 0 4642 129.898 1.516 7.319 1 U 5.430e+02 0.00e+00 m 0 783 0 784 0 4643 129.898 1.399 7.319 1 U 8.950e+02 0.00e+00 m 0 783 0 784 0 4644 129.898 1.298 7.319 1 U 8.350e+02 0.00e+00 m 0 783 0 784 0 4645 129.898 1.181 7.319 1 U 4.730e+02 0.00e+00 m 0 783 0 784 0 4646 131.214 8.629 7.013 1 U 4.960e+02 0.00e+00 m 0 779 0 775 0 4647 131.214 9.018 7.013 1 U 8.390e+02 0.00e+00 m 0 779 0 775 0 4648 132.473 8.634 7.155 1 U 8.670e+02 0.00e+00 m 0 965 0 961 0 4649 132.473 8.796 7.155 1 U 2.877e+03 0.00e+00 m 0 965 0 961 0 4650 132.473 9.387 7.155 1 U 1.208e+03 0.00e+00 m 0 965 0 961 0 4651 131.275 8.200 7.206 1 U 6.410e+02 0.00e+00 m 0 967 0 962 0 4652 131.275 9.377 7.206 1 U 1.460e+03 0.00e+00 m 0 967 0 962 0 4653 132.473 6.589 7.155 1 U 2.544e+03 0.00e+00 m 0 965 0 961 0 4654 131.275 3.174 7.206 1 U 6.280e+02 0.00e+00 m 0 967 0 962 0 4655 127.989 2.159 6.934 1 U 1.920e+03 0.00e+00 m 0 969 0 970 0 4656 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