# Number of dimensions 3 #INAME 1 13C #INAME 2 H1 #INAME 3 1H 4525 119.732 4.584 7.005 2 U 2.164e+03 0.00e+00 m 0 148 141 152 0 4526 119.732 3.058 7.005 2 U 3.533e+03 0.00e+00 m 0 148 143 152 0 4527 119.732 3.057 7.005 2 U 3.533e+03 0.00e+00 m 0 148 144 152 0 4528 119.732 7.005 7.005 2 U 3.188e+05 0.00e+00 m 0 148 152 152 0 4532 119.628 4.722 7.164 2 U 3.285e+03 0.00e+00 m 0 243 236 247 0 4533 119.628 3.329 7.164 2 U 1.630e+03 0.00e+00 m 0 243 238 247 0 4534 119.628 2.964 7.164 2 U 1.634e+03 0.00e+00 m 0 243 239 247 0 4535 119.628 7.164 7.164 2 U 1.376e+05 0.00e+00 m 0 243 247 247 0 4539 132.711 4.932 6.819 2 U 3.245e+03 0.00e+00 m 0 557 548 553 0 4540 132.711 2.513 6.819 2 U 1.107e+04 0.00e+00 m 0 557 550 553 0 4541 132.711 2.856 6.819 2 U 9.135e+03 0.00e+00 m 0 557 551 553 0 4542 132.711 6.819 6.819 2 U 9.410e+04 0.00e+00 m 0 557 553 553 0 4543 132.711 6.660 6.819 2 U 2.632e+04 0.00e+00 m 0 557 554 553 0 4544 117.475 6.819 6.660 2 U 2.648e+04 0.00e+00 m 0 559 553 554 0 4545 117.475 6.660 6.660 2 U 1.105e+05 0.00e+00 m 0 559 554 554 0 4546 119.560 4.634 7.094 2 U 1.163e+03 0.00e+00 m 0 698 691 702 0 4547 119.560 3.107 7.094 2 U 2.992e+03 0.00e+00 m 0 698 693 702 0 4548 119.560 3.202 7.094 2 U 2.002e+03 0.00e+00 m 0 698 694 702 0 4549 119.560 7.094 7.094 2 U 2.560e+05 0.00e+00 m 0 698 702 702 0 4553 131.214 5.155 7.013 2 U 1.789e+03 0.00e+00 m 0 779 770 775 0 4554 131.214 2.587 7.013 2 U 5.463e+03 0.00e+00 m 0 779 772 775 0 4555 131.214 2.550 7.013 2 U 5.423e+03 0.00e+00 m 0 779 773 775 0 4556 131.214 7.013 7.013 2 U 5.599e+04 0.00e+00 m 0 779 775 775 0 4557 131.214 7.343 7.013 2 U 1.872e+04 0.00e+00 m 0 779 776 775 0 4558 131.214 7.319 7.013 2 U 1.297e+04 0.00e+00 m 0 779 784 775 0 4559 131.199 7.013 7.343 2 U 1.187e+04 0.00e+00 m 0 781 775 776 0 4560 131.199 7.343 7.343 2 U 5.585e+04 0.00e+00 m 0 781 776 776 0 4561 131.199 7.319 7.343 2 U 3.295e+04 0.00e+00 m 0 781 784 776 0 4562 129.898 7.013 7.319 2 U 3.285e+03 0.00e+00 m 0 783 775 784 0 4563 129.898 7.343 7.319 2 U 6.572e+04 0.00e+00 m 0 783 776 784 0 4564 129.898 7.319 7.319 2 U 6.272e+04 0.00e+00 m 0 783 784 784 0 4565 132.473 4.656 7.155 2 U 3.590e+03 0.00e+00 m 0 965 956 961 0 4566 132.473 3.165 7.155 2 U 7.476e+03 0.00e+00 m 0 965 958 961 0 4567 132.473 2.804 7.155 2 U 6.516e+03 0.00e+00 m 0 965 959 961 0 4568 132.473 7.155 7.155 2 U 8.433e+04 0.00e+00 m 0 965 961 961 0 4569 132.473 7.206 7.155 2 U 4.139e+04 0.00e+00 m 0 965 962 961 0 4570 132.473 6.934 7.155 2 U 2.823e+03 0.00e+00 m 0 965 970 961 0 4571 131.275 7.155 7.206 2 U 3.613e+04 0.00e+00 m 0 967 961 962 0 4572 131.275 7.206 7.206 2 U 8.214e+04 0.00e+00 m 0 967 962 962 0 4573 131.275 6.934 7.206 2 U 1.604e+04 0.00e+00 m 0 967 970 962 0 4574 127.989 7.155 6.934 2 U 1.020e+04 0.00e+00 m 0 969 961 970 0 4575 127.989 7.206 6.934 2 U 2.580e+04 0.00e+00 m 0 969 962 970 0 4576 127.989 6.934 6.934 2 U 1.055e+05 0.00e+00 m 0 969 970 970 0 4577 132.797 4.398 7.329 2 U 8.714e+03 0.00e+00 m 0 1167 1158 1163 0 4578 132.797 2.984 7.329 2 U 5.913e+03 0.00e+00 m 0 1167 1160 1163 0 4579 132.797 3.319 7.329 2 U 5.005e+03 0.00e+00 m 0 1167 1161 1163 0 4580 132.797 7.329 7.329 2 U 2.709e+05 0.00e+00 m 0 1167 1163 1163 0 4581 132.797 6.802 7.329 2 U 4.891e+04 0.00e+00 m 0 1167 1164 1163 0 4582 117.885 7.329 6.802 2 U 6.235e+04 0.00e+00 m 0 1169 1163 1164 0 4583 117.885 6.802 6.802 2 U 4.119e+05 0.00e+00 m 0 1169 1164 1164 0 4584 132.978 5.049 7.200 2 U 6.339e+03 0.00e+00 m 0 1336 1327 1332 0 4585 132.978 3.169 7.200 2 U 9.475e+03 0.00e+00 m 0 1336 1329 1332 0 4586 132.978 2.910 7.200 2 U 9.055e+03 0.00e+00 m 0 1336 1330 1332 0 4587 132.978 7.200 7.200 2 U 1.189e+05 0.00e+00 m 0 1336 1332 1332 0 4588 132.978 7.027 7.200 2 U 3.254e+04 0.00e+00 m 0 1336 1333 1332 0 4589 132.978 6.929 7.200 2 U 5.359e+03 0.00e+00 m 0 1336 1341 1332 0 4590 130.379 7.200 7.027 2 U 3.966e+04 0.00e+00 m 0 1338 1332 1333 0 4591 130.379 7.027 7.027 2 U 1.977e+05 0.00e+00 m 0 1338 1333 1333 0 4592 130.379 6.929 7.027 2 U 3.563e+04 0.00e+00 m 0 1338 1341 1333 0 4593 128.254 7.200 6.929 2 U 1.422e+04 0.00e+00 m 0 1340 1332 1341 0 4594 128.254 7.027 6.929 2 U 2.442e+04 0.00e+00 m 0 1340 1333 1341 0 4595 128.254 6.929 6.929 2 U 9.191e+04 0.00e+00 m 0 1340 1341 1341 0 4596 132.711 8.674 6.819 1 U 1.032e+04 0.00e+00 m 0 557 0 553 0 4597 132.711 8.345 6.819 1 U 4.640e+02 0.00e+00 m 0 557 0 553 0 4598 132.711 9.436 6.819 1 U 1.798e+03 0.00e+00 m 0 557 0 553 0 4599 117.475 8.350 6.660 1 U 3.108e+03 0.00e+00 m 0 559 0 554 0 4600 117.475 8.679 6.660 1 U 1.666e+03 0.00e+00 m 0 559 0 554 0 4601 117.475 9.128 6.660 1 U 2.243e+03 0.00e+00 m 0 559 0 554 0 4603 132.711 4.602 6.819 1 U 2.996e+03 0.00e+00 m 0 557 0 553 0 4604 132.711 3.531 6.819 1 U 2.586e+03 0.00e+00 m 0 557 0 553 0 4605 132.711 1.951 6.819 1 U 3.153e+03 0.00e+00 m 0 557 0 553 0 4606 132.711 1.794 6.819 1 U 2.723e+03 0.00e+00 m 0 557 0 553 0 4607 132.711 1.673 6.819 1 U 1.103e+03 0.00e+00 m 0 557 0 553 0 4608 132.711 1.517 6.819 1 U 5.318e+03 0.00e+00 m 0 557 0 553 0 4609 132.711 1.325 6.819 1 U 6.483e+03 0.00e+00 m 0 557 0 553 0 4610 132.711 1.224 6.819 1 U 2.127e+03 0.00e+00 m 0 557 0 553 0 4611 132.711 0.790 6.819 1 U 4.726e+03 0.00e+00 m 0 557 0 553 0 4612 132.711 0.704 6.819 1 U 3.885e+03 0.00e+00 m 0 557 0 553 0 4613 132.711 0.244 6.819 1 U 2.630e+03 0.00e+00 m 0 557 0 553 0 4614 117.475 3.956 6.660 1 U 1.863e+03 0.00e+00 m 0 559 0 554 0 4615 117.475 3.537 6.660 1 U 1.678e+03 0.00e+00 m 0 559 0 554 0 4616 117.475 2.855 6.660 1 U 1.219e+03 0.00e+00 m 0 559 0 554 0 4617 117.475 2.506 6.660 1 U 1.582e+03 0.00e+00 m 0 559 0 554 0 4618 117.475 1.961 6.660 1 U 1.237e+03 0.00e+00 m 0 559 0 554 0 4619 117.475 1.683 6.660 1 U 2.181e+03 0.00e+00 m 0 559 0 554 0 4620 117.475 1.512 6.660 1 U 1.122e+04 0.00e+00 m 0 559 0 554 0 4621 117.475 1.320 6.660 1 U 4.533e+03 0.00e+00 m 0 559 0 554 0 4622 117.475 1.229 6.660 1 U 1.500e+03 0.00e+00 m 0 559 0 554 0 4623 117.475 0.901 6.660 1 U 4.459e+03 0.00e+00 m 0 559 0 554 0 4624 117.475 0.724 6.660 1 U 1.046e+04 0.00e+00 m 0 559 0 554 0 4625 117.475 0.244 6.660 1 U 2.952e+03 0.00e+00 m 0 559 0 554 0 4626 119.628 1.628 7.164 1 U 1.087e+03 0.00e+00 m 0 243 0 247 0 4627 119.628 1.118 7.164 1 U 8.730e+02 0.00e+00 m 0 243 0 247 0 4628 119.560 2.421 7.094 1 U 1.109e+03 0.00e+00 m 0 698 0 702 0 4629 119.560 2.557 7.094 1 U 3.180e+02 0.00e+00 m 0 698 0 702 0 4630 131.214 4.629 7.013 1 U 1.968e+03 0.00e+00 m 0 779 0 775 0 4631 131.199 4.629 7.343 1 U 1.729e+03 0.00e+00 m 0 781 0 776 0 4632 129.898 4.645 7.319 1 U 1.075e+03 0.00e+00 m 0 783 0 784 0 4633 131.214 1.825 7.013 1 U 1.920e+03 0.00e+00 m 0 779 0 775 0 4634 131.214 1.201 7.013 1 U 3.874e+03 0.00e+00 m 0 779 0 775 0 4635 131.214 1.059 7.013 1 U 1.666e+03 0.00e+00 m 0 779 0 775 0 4636 131.199 2.564 7.343 1 U 1.163e+03 0.00e+00 m 0 781 0 776 0 4637 131.199 1.810 7.343 1 U 1.056e+03 0.00e+00 m 0 781 0 776 0 4638 131.199 1.189 7.343 1 U 1.536e+03 0.00e+00 m 0 781 0 776 0 4639 131.199 1.516 7.343 1 U 1.247e+03 0.00e+00 m 0 781 0 776 0 4640 129.898 2.734 7.319 1 U 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