# Number of dimensions 3 #INAME 1 13C #INAME 2 H1 #INAME 3 1H 4529 130.026 6.945 6.944 2 U 1.267e+05 0.00e+00 m 0 562 565 567 0 4530 130.026 6.944 6.944 2 U 1.267e+05 0.00e+00 m 0 566 567 567 0 4531 130.026 6.651 6.944 2 U 1.221e+04 0.00e+00 m 0 562 569 567 0 4532 128.716 6.945 6.945 2 U 1.017e+05 0.00e+00 m 0 564 565 565 0 4533 128.716 6.944 6.945 2 U 1.017e+05 0.00e+00 m 0 564 567 565 0 4534 128.716 6.651 6.945 2 U 2.855e+03 0.00e+00 m 0 564 569 565 0 4535 132.794 4.989 6.651 2 U 2.554e+03 0.00e+00 m 0 568 551 569 0 4536 132.794 2.840 6.651 2 U 8.555e+03 0.00e+00 m 0 568 553 569 0 4537 132.794 2.895 6.651 2 U 1.072e+04 0.00e+00 m 0 568 554 569 0 4539 132.794 6.944 6.651 2 U 2.420e+04 0.00e+00 m 0 568 567 569 0 4540 132.921 6.651 6.651 2 U 1.242e+05 0.00e+00 m 0 560 569 569 0 4541 131.067 6.947 7.154 2 U 8.635e+03 0.00e+00 m 0 781 784 786 0 4542 131.090 7.154 7.154 2 U 3.354e+04 0.00e+00 m 0 785 786 786 0 4543 131.067 7.062 7.154 2 U 1.329e+04 0.00e+00 m 0 781 788 786 0 4544 128.893 6.947 6.947 2 U 1.017e+05 0.00e+00 m 0 783 784 784 0 4545 128.893 7.154 6.947 2 U 2.140e+04 0.00e+00 m 0 783 786 784 0 4546 128.893 7.062 6.947 2 U 7.555e+03 0.00e+00 m 0 783 788 784 0 4547 131.490 4.010 7.062 2 U 2.090e+03 0.00e+00 m 0 787 770 788 0 4548 131.490 3.110 7.062 2 U 1.789e+03 0.00e+00 m 0 787 772 788 0 4549 131.490 2.874 7.062 2 U 1.792e+03 0.00e+00 m 0 787 773 788 0 4550 131.490 6.947 7.062 2 U 1.163e+03 0.00e+00 m 0 787 784 788 0 4551 131.490 7.154 7.062 2 U 4.686e+03 0.00e+00 m 0 787 786 788 0 4552 131.330 7.062 7.062 2 U 4.280e+04 0.00e+00 m 0 779 788 788 0 4553 118.014 6.811 6.811 2 U 2.865e+05 0.00e+00 m 0 916 917 917 0 4554 118.014 7.340 6.811 2 U 3.109e+04 0.00e+00 m 0 913 919 917 0 4555 134.099 4.898 7.340 2 U 4.130e+03 0.00e+00 m 0 918 902 919 0 4556 134.099 2.801 7.340 2 U 7.442e+03 0.00e+00 m 0 918 904 919 0 4557 134.099 2.938 7.340 2 U 7.146e+03 0.00e+00 m 0 918 905 919 0 4558 134.099 6.811 7.340 2 U 2.294e+04 0.00e+00 m 0 918 917 919 0 4559 134.099 7.340 7.340 2 U 1.454e+05 0.00e+00 m 0 911 919 919 0 4560 132.794 1.884 6.651 1 U 2.984e+03 0.00e+00 m 0 568 0 569 0 4561 132.794 1.756 6.651 1 U 3.325e+03 0.00e+00 m 0 568 0 569 0 4562 132.794 1.204 6.651 1 U 3.601e+03 0.00e+00 m 0 568 0 569 0 4563 132.794 1.026 6.651 1 U 6.885e+03 0.00e+00 m 0 568 0 569 0 4564 132.794 0.896 6.651 1 U 1.460e+03 0.00e+00 m 0 568 0 569 0 4565 132.794 0.703 6.651 1 U 1.141e+03 0.00e+00 m 0 568 0 569 0 4566 132.794 0.594 6.651 1 U 1.849e+03 0.00e+00 m 0 568 0 569 0 4567 132.794 0.280 6.651 1 U 2.445e+03 0.00e+00 m 0 568 0 569 0 4568 132.794 0.177 6.651 1 U 2.614e+03 0.00e+00 m 0 568 0 569 0 4570 130.026 3.798 6.944 1 U 8.840e+02 0.00e+00 m 0 562 0 567 0 4571 130.026 2.938 6.944 1 U 6.830e+02 0.00e+00 m 0 562 0 567 0 4572 130.026 2.793 6.944 1 U 1.121e+03 0.00e+00 m 0 562 0 567 0 4573 130.026 1.890 6.944 1 U 1.127e+03 0.00e+00 m 0 562 0 567 0 4574 130.026 1.760 6.944 1 U 8.010e+02 0.00e+00 m 0 562 0 567 0 4576 130.026 1.205 6.944 1 U 7.794e+03 0.00e+00 m 0 562 0 567 0 4577 130.026 1.014 6.944 1 U 6.765e+03 0.00e+00 m 0 562 0 567 0 4578 130.026 0.914 6.944 1 U 1.900e+03 0.00e+00 m 0 562 0 567 0 4579 130.026 0.703 6.944 1 U 3.721e+03 0.00e+00 m 0 562 0 567 0 4580 130.026 0.606 6.944 1 U 1.409e+03 0.00e+00 m 0 562 0 567 0 4581 130.026 0.508 6.944 1 U 2.506e+03 0.00e+00 m 0 562 0 567 0 4582 130.026 0.437 6.944 1 U 8.360e+02 0.00e+00 m 0 562 0 567 0 4583 130.026 0.288 6.944 1 U 2.646e+03 0.00e+00 m 0 562 0 567 0 4584 130.026 0.180 6.944 1 U 1.857e+03 0.00e+00 m 0 562 0 567 0 4585 128.716 3.947 6.945 1 U 1.323e+03 0.00e+00 m 0 564 0 565 0 4586 128.716 3.620 6.945 1 U 1.129e+03 0.00e+00 m 0 564 0 565 0 4588 128.716 1.908 6.945 1 U 7.320e+02 0.00e+00 m 0 564 0 565 0 4589 128.716 1.718 6.945 1 U 7.130e+02 0.00e+00 m 0 564 0 565 0 4590 128.716 1.216 6.945 1 U 1.398e+04 0.00e+00 m 0 564 0 565 0 4591 128.716 0.987 6.945 1 U 2.420e+03 0.00e+00 m 0 564 0 565 0 4592 128.716 0.902 6.945 1 U 1.778e+03 0.00e+00 m 0 564 0 565 0 4593 128.716 0.697 6.945 1 U 9.550e+02 0.00e+00 m 0 564 0 565 0 4594 128.716 0.503 6.945 1 U 4.624e+03 0.00e+00 m 0 564 0 565 0 4595 128.716 0.431 6.945 1 U 3.510e+03 0.00e+00 m 0 564 0 565 0 4596 128.716 0.292 6.945 1 U 6.210e+02 0.00e+00 m 0 564 0 565 0 4597 128.716 0.171 6.945 1 U 3.910e+02 0.00e+00 m 0 564 0 565 0 4598 132.794 3.548 6.651 1 U 1.664e+03 0.00e+00 m 0 568 0 569 0 4599 132.794 3.881 6.651 1 U 1.267e+03 0.00e+00 m 0 568 0 569 0 4600 132.794 6.292 6.651 1 U 1.974e+03 0.00e+00 m 0 568 0 569 0 4601 132.794 7.331 6.651 1 U 2.578e+03 0.00e+00 m 0 568 0 569 0 4603 131.490 8.642 7.062 1 U 9.370e+02 0.00e+00 m 0 787 0 788 0 4604 131.067 3.997 7.154 1 U 9.950e+02 0.00e+00 m 0 781 0 786 0 4605 128.893 3.978 6.947 1 U 1.727e+03 0.00e+00 m 0 783 0 784 0 4606 131.067 3.616 7.154 1 U 1.522e+03 0.00e+00 m 0 781 0 786 0 4607 131.067 2.866 7.154 1 U 6.680e+02 0.00e+00 m 0 781 0 786 0 4609 131.067 2.009 7.154 1 U 5.360e+02 0.00e+00 m 0 781 0 786 0 4610 131.067 1.216 7.154 1 U 3.446e+03 0.00e+00 m 0 781 0 786 0 4611 131.067 1.035 7.154 1 U 7.340e+02 0.00e+00 m 0 781 0 786 0 4612 131.067 0.926 7.154 1 U 1.711e+03 0.00e+00 m 0 781 0 786 0 4613 131.067 0.515 7.154 1 U 8.810e+02 0.00e+00 m 0 781 0 786 0 4614 131.067 0.432 7.154 1 U 1.387e+03 0.00e+00 m 0 781 0 786 0 4615 128.893 1.216 6.947 1 U 1.398e+04 0.00e+00 m 0 783 0 784 0 4616 128.893 1.011 6.947 1 U 2.855e+03 0.00e+00 m 0 783 0 784 0 4617 128.893 0.926 6.947 1 U 2.582e+03 0.00e+00 m 0 783 0 784 0 4618 128.893 0.509 6.947 1 U 4.317e+03 0.00e+00 m 0 783 0 784 0 4619 128.893 0.449 6.947 1 U 3.032e+03 0.00e+00 m 0 783 0 784 0 4621 131.490 3.628 7.062 1 U 6.840e+02 0.00e+00 m 0 787 0 788 0 4622 131.490 1.216 7.062 1 U 1.870e+02 0.00e+00 m 0 787 0 788 0 4623 131.490 0.938 7.062 1 U 3.150e+02 0.00e+00 m 0 787 0 788 0 4624 131.490 0.817 7.062 1 U 1.197e+03 0.00e+00 m 0 787 0 788 0 4625 131.490 0.195 7.062 1 U 7.500e+02 0.00e+00 m 0 787 0 788 0 4626 131.490 0.431 7.062 1 U 1.970e+02 0.00e+00 m 0 787 0 788 0 4627 134.099 7.681 7.340 1 U 4.050e+03 0.00e+00 m 0 918 0 919 0 4628 134.099 6.938 7.340 1 U 2.699e+03 0.00e+00 m 0 918 0 919 0 4629 134.099 6.649 7.340 1 U 2.428e+03 0.00e+00 m 0 918 0 919 0 4630 134.099 3.693 7.340 1 U 3.209e+03 0.00e+00 m 0 918 0 919 0 4631 134.099 3.798 7.340 1 U 7.770e+02 0.00e+00 m 0 918 0 919 0 4632 134.099 3.881 7.340 1 U 1.281e+03 0.00e+00 m 0 918 0 919 0 4633 134.099 1.754 7.340 1 U 4.772e+03 0.00e+00 m 0 918 0 919 0 4634 134.099 1.542 7.340 1 U 2.349e+03 0.00e+00 m 0 918 0 919 0 4635 134.099 1.023 7.340 1 U 1.458e+03 0.00e+00 m 0 918 0 919 0 4636 134.099 0.709 7.340 1 U 1.450e+03 0.00e+00 m 0 918 0 919 0 4637 134.099 0.600 7.340 1 U 1.494e+03 0.00e+00 m 0 918 0 919 0 4638 118.014 3.900 6.811 1 U 1.202e+03 0.00e+00 m 0 913 0 917 0 4639 118.014 4.890 6.811 1 U 8.620e+02 0.00e+00 m 0 913 0 917 0 4640 118.014 3.017 6.811 1 U 2.671e+03 0.00e+00 m 0 913 0 917 0 4641 118.014 2.938 6.811 1 U 1.554e+03 0.00e+00 m 0 913 0 917 0 4642 118.014 2.823 6.811 1 U 1.144e+03 0.00e+00 m 0 913 0 917 0 4643 118.014 1.766 6.811 1 U 4.323e+03 0.00e+00 m 0 913 0 917 0 4644 118.014 1.554 6.811 1 U 2.498e+03 0.00e+00 m 0 913 0 917 0 4645 118.014 1.300 6.811 1 U 1.480e+03 0.00e+00 m 0 913 0 917 0 4646 118.014 0.869 6.811 1 U 2.121e+03 0.00e+00 m 0 913 0 917 0 4647 118.014 0.600 6.811 1 U 5.343e+03 0.00e+00 m 0 913 0 917 0 4648 118.014 0.189 6.811 1 U 1.928e+03 0.00e+00 m 0 913 0 917 0 4649 132.794 2.742 6.651 1 U 1.160e+03 0.00e+00 m 0 568 0 569 0 4650 132.794 2.084 6.651 1 U 7.450e+02 0.00e+00 m 0 568 0 569 0 4651 131.490 1.060 7.062 1 U 7.420e+02 0.00e+00 m 0 787 0 788 0 4652 128.893 1.366 6.947 1 U 9.040e+02 0.00e+00 m 0 783 0 784 0 4653 128.893 1.785 6.947 1 U 5.250e+02 0.00e+00 m 0 783 0 784 0 4655 134.099 0.892 7.340 1 U 1.035e+03 0.00e+00 m 0 918 0 919 0 4657 132.794 7.238 6.651 1 U 9.080e+02 0.00e+00 m 0 568 0 569 0 4658 130.026 7.329 6.944 1 U 1.612e+03 0.00e+00 m 0 562 0 567 0 4659 132.794 1.562 6.651 1 U 6.240e+02 0.00e+00 m 0 568 0 569 0 4660 128.893 2.021 6.947 1 U 1.693e+03 0.00e+00 m 0 783 0 784 0 4662 134.099 3.987 7.340 1 U 7.740e+02 0.00e+00 m 0 918 0 919 0 4663 134.099 1.308 7.340 1 U 1.042e+03 0.00e+00 m 0 918 0 919 0 4664 118.014 1.033 6.811 1 U 9.380e+02 0.00e+00 m 0 913 0 917 0 4665 134.099 0.188 7.340 1 U 8.220e+02 0.00e+00 m 0 918 0 919 0 4666 134.099 1.858 7.340 1 U 8.620e+02 0.00e+00 m 0 918 0 919 0 4667 118.014 1.875 6.811 1 U 8.610e+02 0.00e+00 m 0 913 0 917 0 4668 117.999 7.060 6.782 1 U 4.242e+04 0.00e+00 m 0 0 0 0 0 4669 132.952 6.782 7.078 1 U 4.769e+04 0.00e+00 m 0 2008 2007 2009 0 4670 132.952 7.074 7.078 1 U 7.240e+05 0.00e+00 m 0 2008 2009 2009 0 4671 117.999 7.068 6.785 1 U 4.242e+04 0.00e+00 m 0 2003 2009 2007 0 4672 117.999 6.776 6.785 1 U 8.854e+05 0.00e+00 m 0 2003 2007 2007 0 4673 132.952 8.025 7.078 1 U 1.315e+03 0.00e+00 m 0 2008 0 2009 0 4674 132.952 4.449 7.078 1 U 7.192e+03 0.00e+00 m 0 2008 0 2009 0 4675 132.952 4.187 7.078 1 U 2.238e+03 0.00e+00 m 0 2008 0 2009 0 4676 132.952 3.019 7.078 1 U 1.260e+04 0.00e+00 m 0 2008 0 2009 0 4677 132.952 2.963 7.078 1 U 1.007e+04 0.00e+00 m 0 2008 0 2009 0 4678 117.999 4.180 6.785 1 U 9.410e+02 0.00e+00 m 0 2003 0 2007 0 4679 117.999 3.013 6.785 1 U 1.743e+03 0.00e+00 m 0 2003 0 2007 0 4681 117.999 2.007 6.785 1 U 5.050e+02 0.00e+00 m 0 2003 0 2007 0 4683 132.952 1.764 7.078 1 U 8.070e+02 0.00e+00 m 0 2008 0 2009 0 4684 132.952 1.533 7.078 1 U 9.710e+02 0.00e+00 m 0 2008 0 2009 0 4685 132.952 1.371 7.078 1 U 1.099e+03 0.00e+00 m 0 2008 0 2009 0 4686 117.999 1.377 6.785 1 U 7.500e+02 0.00e+00 m 0 2003 0 2007 0 4687 130.026 2.749 6.944 1 U 7.330e+02 0.00e+00 m 0 562 0 567 0 4688 130.026 1.943 6.944 1 U 9.110e+02 0.00e+00 m 0 562 0 567 0 4689 128.893 2.379 6.947 1 U 4.720e+02 0.00e+00 m 0 783 0 784 0 4690 117.999 1.742 6.785 1 U 1.349e+03 0.00e+00 m 0 2003 0 2007 0