NMR [Gly]Ascidiacyclamide PDB
ATOM 1 S AAA A 1 12.894 4.767 -1.431 1.00 0.05
ATOM 2 S AAA A 2 9.197 3.358 0.839 1.00 0.05
ATOM 3 N1 AAA A 3 12.458 8.758 -2.068 1.00 0.05
ATOM 4 N AAA A 4 12.941 6.999 -0.099 1.00 0.05
ATOM 5 N2 AAA A 5 13.113 7.484 2.677 1.00 0.05
ATOM 6 N AAA A 6 11.789 6.463 5.757 1.00 0.05
ATOM 7 N3 AAA A 7 10.615 4.418 4.529 1.00 0.05
ATOM 8 N AAA A 8 9.949 5.463 2.163 1.00 0.05
ATOM 9 N4 AAA A 9 9.917 8.227 1.365 1.00 0.05
ATOM 10 N AAA A 10 11.299 10.686 -0.687 1.00 0.05
ATOM 11 O AAA A 11 12.933 5.265 3.124 1.00 0.05
ATOM 12 O AAA A 12 10.560 7.889 4.490 1.00 0.05
ATOM 13 O AAA A 13 8.772 4.446 5.855 1.00 0.05
ATOM 14 O AAA A 14 9.332 7.626 -0.739 1.00 0.05
ATOM 15 O AAA A 15 12.287 10.009 1.246 1.00 0.05
ATOM 16 O AAA A 16 14.472 9.809 -2.198 1.00 0.05
ATOM 17 C AAA A 17 12.924 6.538 -1.365 1.00 0.05
ATOM 18 C AAA A 18 12.938 7.476 -2.576 1.00 0.05
ATOM 19 C AAA A 19 12.064 6.999 -3.754 1.00 0.05
ATOM 20 C AAA A 20 12.241 7.929 -4.962 1.00 0.05
ATOM 21 C AAA A 21 10.576 6.873 -3.394 1.00 0.05
ATOM 22 C AAA A 22 12.999 6.192 2.329 1.00 0.05
ATOM 23 C AAA A 23 12.957 5.913 0.880 1.00 0.05
ATOM 24 C AAA A 24 12.930 4.695 0.322 1.00 0.05
ATOM 25 C AAA A 25 11.770 7.382 4.781 1.00 0.05
ATOM 26 C AAA A 26 13.004 7.941 4.058 1.00 0.05
ATOM 27 C AAA A 27 9.840 4.924 5.498 1.00 0.05
ATOM 28 C AAA A 28 10.377 6.243 6.095 1.00 0.05
ATOM 29 C AAA A 29 9.638 7.447 5.457 1.00 0.05
ATOM 30 C AAA A 30 9.384 8.586 6.451 1.00 0.05
ATOM 31 C AAA A 31 9.835 4.123 2.306 1.00 0.05
ATOM 32 C AAA A 32 10.159 3.380 3.615 1.00 0.05
ATOM 33 C AAA A 33 11.280 2.324 3.475 1.00 0.05
ATOM 34 C AAA A 34 10.851 1.109 2.638 1.00 0.05
ATOM 35 C AAA A 35 11.765 1.847 4.855 1.00 0.05
ATOM 36 C AAA A 36 9.586 7.333 0.422 1.00 0.05
ATOM 37 C AAA A 37 9.544 5.912 0.827 1.00 0.05
ATOM 38 C AAA A 38 9.138 4.911 0.035 1.00 0.05
ATOM 39 C AAA A 39 11.160 10.134 0.525 1.00 0.05
ATOM 40 C AAA A 40 9.821 9.657 1.091 1.00 0.05
ATOM 41 C AAA A 41 9.448 10.400 2.393 1.00 0.05
ATOM 42 C AAA A 42 8.173 9.829 3.046 1.00 0.05
ATOM 43 C AAA A 43 6.928 9.890 2.152 1.00 0.05
ATOM 44 C AAA A 44 9.319 11.917 2.179 1.00 0.05
ATOM 45 C AAA A 45 13.315 9.762 -1.804 1.00 0.05
ATOM 46 C AAA A 46 12.744 10.844 -0.863 1.00 0.05
ATOM 47 C AAA A 47 13.324 10.678 0.569 1.00 0.05
ATOM 48 C AAA A 48 13.581 12.017 1.268 1.00 0.05
ATOM 49 H1 AAA A 49 11.503 8.850 -1.788 1.00 0.00
ATOM 50 H2 AAA A 50 13.151 8.148 1.929 1.00 0.00
ATOM 51 H3 AAA A 51 11.514 4.825 4.369 1.00 0.00
ATOM 52 H4 AAA A 52 10.135 7.887 2.281 1.00 0.00
ATOM 53 H AAA A 53 13.974 7.580 -2.903 1.00 0.00
ATOM 54 H AAA A 54 12.418 6.011 -4.053 1.00 0.00
ATOM 55 HA AAA A 55 11.882 8.936 -4.745 1.00 0.00
ATOM 56 HB AAA A 55 11.689 7.560 -5.827 1.00 0.00
ATOM 57 HC AAA A 55 13.290 8.007 -5.248 1.00 0.00
ATOM 58 HA AAA A 56 10.145 7.837 -3.123 1.00 0.00
ATOM 59 HB AAA A 56 10.419 6.189 -2.560 1.00 0.00
ATOM 60 HC AAA A 56 10.003 6.488 -4.238 1.00 0.00
ATOM 61 H AAA A 57 12.932 3.784 0.892 1.00 0.00
ATOM 62 HA AAA A 58 12.952 9.029 4.031 1.00 0.00
ATOM 63 HB AAA A 58 13.912 7.636 4.579 1.00 0.00
ATOM 64 H AAA A 59 10.288 6.213 7.181 1.00 0.00
ATOM 65 H AAA A 60 8.699 7.161 4.978 1.00 0.00
ATOM 66 HA AAA A 61 10.309 8.906 6.930 1.00 0.00
ATOM 67 HB AAA A 61 8.692 8.271 7.232 1.00 0.00
ATOM 68 HC AAA A 61 8.951 9.450 5.948 1.00 0.00
ATOM 69 H AAA A 62 9.246 2.932 4.010 1.00 0.00
ATOM 70 H AAA A 63 12.136 2.786 2.979 1.00 0.00
ATOM 71 HA AAA A 64 10.676 1.370 1.596 1.00 0.00
ATOM 72 HB AAA A 64 9.941 0.658 3.034 1.00 0.00
ATOM 73 HC AAA A 64 11.627 0.342 2.639 1.00 0.00
ATOM 74 HA AAA A 65 12.224 2.653 5.427 1.00 0.00
ATOM 75 HB AAA A 65 12.516 1.063 4.758 1.00 0.00
ATOM 76 HC AAA A 65 10.940 1.447 5.445 1.00 0.00
ATOM 77 H AAA A 66 8.810 5.057 -0.978 1.00 0.00
ATOM 78 H AAA A 67 9.052 9.819 0.333 1.00 0.00
ATOM 79 H AAA A 68 10.259 10.247 3.108 1.00 0.00
ATOM 80 HA AAA A 69 7.971 10.371 3.970 1.00 0.00
ATOM 81 HB AAA A 69 8.336 8.795 3.346 1.00 0.00
ATOM 82 HA AAA A 70 7.055 9.292 1.249 1.00 0.00
ATOM 83 HB AAA A 70 6.698 10.912 1.851 1.00 0.00
ATOM 84 HC AAA A 70 6.058 9.499 2.679 1.00 0.00
ATOM 85 HA AAA A 71 10.265 12.358 1.867 1.00 0.00
ATOM 86 HB AAA A 71 9.016 12.418 3.099 1.00 0.00
ATOM 87 HC AAA A 71 8.580 12.149 1.412 1.00 0.00
ATOM 88 H AAA A 72 12.928 11.831 -1.288 1.00 0.00
ATOM 89 H AAA A 73 14.234 10.073 0.586 1.00 0.00
ATOM 90 HA AAA A 74 12.681 12.632 1.284 1.00 0.00
ATOM 91 HB AAA A 74 14.362 12.579 0.755 1.00 0.00
ATOM 92 HC AAA A 74 13.900 11.862 2.298 1.00 0.00
END