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