[ NC3 ]
ATOM      1  N   XSM     1       0.420  -0.897   2.359  1.00  0.00      XSM 
ATOM      2  C15 XSM     1       1.269  -1.490   3.513  1.00  0.00      XSM 
ATOM      3 H15A XSM     1       0.848  -2.435   3.823  1.00  0.00      XSM 
ATOM      4 H15B XSM     1       1.047  -0.735   4.252  1.00  0.00      XSM 
ATOM      5 H15C XSM     1       2.303  -1.502   3.199  1.00  0.00      XSM 
ATOM      6  C14 XSM     1      -1.017  -0.922   2.816  1.00  0.00      XSM 
ATOM      7 H14A XSM     1      -0.952  -0.423   3.772  1.00  0.00      XSM 
ATOM      8 H14B XSM     1      -1.288  -1.960   2.944  1.00  0.00      XSM 
ATOM      9 H14C XSM     1      -1.744  -0.421   2.193  1.00  0.00      XSM 
ATOM     10  C13 XSM     1       0.832   0.522   2.108  1.00  0.00      XSM 
ATOM     11 H13A XSM     1       1.879   0.568   1.847  1.00  0.00      XSM 
ATOM     12 H13B XSM     1       0.646   1.081   3.013  1.00  0.00      XSM 
ATOM     13 H13C XSM     1       0.212   0.942   1.329  1.00  0.00      XSM 
ATOM     14  C12 XSM     1       0.669  -1.753   1.156  1.00  0.00      XSM 
ATOM     15 H12A XSM     1       0.256  -2.722   1.396  1.00  0.00      XSM 
ATOM     16 H12B XSM     1       1.743  -1.798   1.051  1.00  0.00      XSM 
ATOM     17  C11 XSM     1      -0.066  -1.326  -0.226  1.00  0.00      XSM 
ATOM     18 H11A XSM     1      -1.128  -1.632  -0.110  1.00  0.00      XSM 
ATOM     19 H11B XSM     1       0.351  -2.019  -0.988  1.00  0.00      XSM 
[ PO4 ]
ATOM     20  P   XSM     1      -0.657   0.813  -1.624  1.00  0.00      XSM 
ATOM     21  O13 XSM     1      -2.076   0.666  -1.168  1.00  0.00      XSM 
ATOM     22  O14 XSM     1      -0.151   2.231  -1.733  1.00  0.00      XSM 
ATOM     23  O11 XSM     1      -0.404   0.022  -2.920  1.00  0.00      XSM 
ATOM     24  O12 XSM     1       0.242   0.021  -0.540  1.00  0.00      XSM 
[ OH1 ]
ATOM     25  C1S XSM     1      -1.136   0.395  -4.068  1.00  0.00      XSM 
ATOM     26  H1S XSM     1      -1.141   1.500  -4.181  1.00  0.00      XSM 
ATOM     27  H1T XSM     1      -2.213   0.163  -3.921  1.00  0.00      XSM 
ATOM     28  C2S XSM     1      -0.865  -0.308  -5.372  1.00  0.00      XSM 
ATOM     29  H2S XSM     1      -0.767  -1.405  -5.226  1.00  0.00      XSM 
ATOM     30  C3S XSM     1      -2.016  -0.216  -6.355  1.00  0.00      XSM 
ATOM     31  H3S XSM     1      -2.361   0.836  -6.458  1.00  0.00      XSM 
ATOM     32  O3  XSM     1      -3.151  -0.925  -5.904  1.00  0.00      XSM 
ATOM     33  HO3 XSM     1      -3.144  -0.898  -4.945  1.00  0.00      XSM 
[ T1A ]
ATOM     34  C4S XSM     1      -1.620  -0.792  -7.734  1.00  0.00      XSM 
ATOM     35  H4S XSM     1      -1.200  -1.804  -7.832  1.00  0.00      XSM 
ATOM     36  C5S XSM     1      -1.678  -0.022  -8.807  1.00  0.00      XSM 
ATOM     37  H5S XSM     1      -1.986   1.031  -8.730  1.00  0.00      XSM 
ATOM     38  C6S XSM     1      -1.336  -0.447 -10.232  1.00  0.00      XSM 
ATOM     39  H6S XSM     1      -1.385  -1.553 -10.321  1.00  0.00      XSM 
ATOM     40  H6T XSM     1      -0.264  -0.255 -10.450  1.00  0.00      XSM 
[ C2A ]
ATOM     41  C7S XSM     1      -2.068   0.224 -11.431  1.00  0.00      XSM 
ATOM     42  H7S XSM     1      -2.004   1.331 -11.376  1.00  0.00      XSM 
ATOM     43  H7T XSM     1      -3.165   0.049 -11.416  1.00  0.00      XSM 
ATOM     44  C8S XSM     1      -1.558  -0.264 -12.836  1.00  0.00      XSM 
ATOM     45  H8S XSM     1      -1.343  -1.351 -12.752  1.00  0.00      XSM 
ATOM     46  H8T XSM     1      -0.586   0.195 -13.118  1.00  0.00      XSM 
ATOM     47  C9S XSM     1      -2.619  -0.095 -13.956  1.00  0.00      XSM 
ATOM     48  H9S XSM     1      -2.758   0.991 -14.147  1.00  0.00      XSM 
ATOM     49  H9T XSM     1      -3.527  -0.585 -13.544  1.00  0.00      XSM 
ATOM     50 C10S XSM     1      -2.285  -0.699 -15.345  1.00  0.00      XSM 
ATOM     51 H10S XSM     1      -1.378  -0.184 -15.728  1.00  0.00      XSM 
ATOM     52 H10T XSM     1      -3.044  -0.397 -16.098  1.00  0.00      XSM 
[ C3A ]
ATOM     53 C11S XSM     1      -2.225  -2.271 -15.513  1.00  0.00      XSM 
ATOM     54 H11S XSM     1      -3.117  -2.712 -15.017  1.00  0.00      XSM 
ATOM     55 H11T XSM     1      -1.329  -2.695 -15.011  1.00  0.00      XSM 
ATOM     56 C12S XSM     1      -2.285  -2.767 -16.964  1.00  0.00      XSM 
ATOM     57 H12S XSM     1      -3.192  -2.336 -17.441  1.00  0.00      XSM 
ATOM     58 H12T XSM     1      -2.560  -3.843 -16.966  1.00  0.00      XSM 
ATOM     59 C13S XSM     1      -0.945  -2.675 -17.772  1.00  0.00      XSM 
ATOM     60 H13S XSM     1      -0.129  -3.039 -17.112  1.00  0.00      XSM 
ATOM     61 H13T XSM     1      -0.833  -1.593 -18.001  1.00  0.00      XSM 
ATOM     62 C14S XSM     1      -1.114  -3.282 -19.140  1.00  0.00      XSM 
ATOM     63 H14S XSM     1      -2.045  -3.081 -19.712  1.00  0.00      XSM 
ATOM     64 H14T XSM     1      -1.310  -4.370 -19.027  1.00  0.00      XSM 
[ C4A ]
ATOM     65 C15S XSM     1      -0.020  -2.917 -20.187  1.00  0.00      XSM 
ATOM     66 H15S XSM     1       0.840  -3.562 -19.907  1.00  0.00      XSM 
ATOM     67 H15T XSM     1       0.333  -1.865 -20.137  1.00  0.00      XSM 
ATOM     68 C16S XSM     1      -0.246  -3.376 -21.621  1.00  0.00      XSM 
ATOM     69 H16S XSM     1      -1.096  -2.758 -21.981  1.00  0.00      XSM 
ATOM     70 H16T XSM     1      -0.536  -4.444 -21.719  1.00  0.00      XSM 
ATOM     71 C17S XSM     1       0.959  -3.094 -22.537  1.00  0.00      XSM 
ATOM     72 H17S XSM     1       1.821  -3.744 -22.273  1.00  0.00      XSM 
ATOM     73 H17T XSM     1       1.195  -2.027 -22.338  1.00  0.00      XSM 
ATOM     74 C18S XSM     1       0.632  -3.359 -24.002  1.00  0.00      XSM 
ATOM     75 H18S XSM     1       1.435  -2.997 -24.679  1.00  0.00      XSM 
ATOM     76 H18T XSM     1      -0.266  -2.730 -24.186  1.00  0.00      XSM 
ATOM     77 H18U XSM     1       0.418  -4.440 -24.137  1.00  0.00      XSM 
[ AM2 ]
ATOM     78  NF  XSM     1       0.306   0.216  -5.990  1.00  0.00      XSM 
ATOM     79  HNF XSM     1       0.228   0.857  -6.750  1.00  0.00      XSM 
ATOM     80  C1F XSM     1       1.538   0.197  -5.362  1.00  0.00      XSM 
ATOM     81  OF  XSM     1       1.798  -0.572  -4.417  1.00  0.00      XSM 
[ C1B ]
ATOM     82  C2F XSM     1       2.624   1.125  -5.844  1.00  0.00      XSM 
ATOM     83  H2F XSM     1       3.366   1.172  -5.018  1.00  0.00      XSM 
ATOM     84  H2G XSM     1       2.309   2.175  -6.019  1.00  0.00      XSM 
ATOM     85  C3F XSM     1       3.396   0.702  -7.144  1.00  0.00      XSM 
ATOM     86  H3F XSM     1       3.474  -0.402  -7.054  1.00  0.00      XSM 
ATOM     87  H3G XSM     1       4.379   1.207  -7.027  1.00  0.00      XSM 
ATOM     88  C4F XSM     1       2.698   1.095  -8.454  1.00  0.00      XSM 
ATOM     89  H4F XSM     1       3.066   2.097  -8.764  1.00  0.00      XSM 
ATOM     90  H4G XSM     1       1.591   1.043  -8.367  1.00  0.00      XSM 
[ C2B ]
ATOM     91  C5F XSM     1       3.178   0.078  -9.550  1.00  0.00      XSM 
ATOM     92  H5F XSM     1       4.276  -0.029  -9.685  1.00  0.00      XSM 
ATOM     93  H5G XSM     1       2.669   0.505 -10.441  1.00  0.00      XSM 
ATOM     94  C6F XSM     1       2.601  -1.362  -9.510  1.00  0.00      XSM 
ATOM     95  H6F XSM     1       1.509  -1.233  -9.346  1.00  0.00      XSM 
ATOM     96  H6G XSM     1       3.126  -1.946  -8.725  1.00  0.00      XSM 
ATOM     97  C7F XSM     1       2.722  -2.243 -10.847  1.00  0.00      XSM 
ATOM     98  H7F XSM     1       2.455  -3.221 -10.391  1.00  0.00      XSM 
ATOM     99  H7G XSM     1       3.776  -2.209 -11.198  1.00  0.00      XSM 
ATOM    100  C8F XSM     1       1.683  -1.988 -11.991  1.00  0.00      XSM 
ATOM    101  H8F XSM     1       1.449  -0.908 -12.109  1.00  0.00      XSM 
ATOM    102  H8G XSM     1       0.725  -2.449 -11.669  1.00  0.00      XSM 
[ C3B ]
ATOM    103  C9F XSM     1       2.017  -2.449 -13.472  1.00  0.00      XSM 
ATOM    104  H9F XSM     1       1.567  -3.461 -13.560  1.00  0.00      XSM 
ATOM    105  H9G XSM     1       3.120  -2.581 -13.489  1.00  0.00      XSM 
ATOM    106 C10F XSM     1       1.711  -1.506 -14.636  1.00  0.00      XSM 
ATOM    107 H10F XSM     1       0.625  -1.289 -14.550  1.00  0.00      XSM 
ATOM    108 H10G XSM     1       1.755  -2.089 -15.581  1.00  0.00      XSM 
ATOM    109 C11F XSM     1       2.491  -0.232 -14.666  1.00  0.00      XSM 
ATOM    110 H11F XSM     1       3.561  -0.529 -14.627  1.00  0.00      XSM 
ATOM    111 H11G XSM     1       2.274   0.340 -13.739  1.00  0.00      XSM 
ATOM    112 C12F XSM     1       2.151   0.688 -15.799  1.00  0.00      XSM 
ATOM    113 H12F XSM     1       2.824   1.562 -15.667  1.00  0.00      XSM 
ATOM    114 H12G XSM     1       1.107   1.069 -15.780  1.00  0.00      XSM 
[ C4B ]
ATOM    115 C13F XSM     1       2.405   0.093 -17.149  1.00  0.00      XSM 
ATOM    116 H13F XSM     1       1.763  -0.783 -17.383  1.00  0.00      XSM 
ATOM    117 H13G XSM     1       3.451  -0.209 -17.372  1.00  0.00      XSM 
ATOM    118 C14F XSM     1       2.449   1.188 -18.215  1.00  0.00      XSM 
ATOM    119 H14F XSM     1       3.038   0.819 -19.082  1.00  0.00      XSM 
ATOM    120 H14G XSM     1       2.889   2.130 -17.825  1.00  0.00      XSM 
ATOM    121 C15F XSM     1       1.031   1.510 -18.650  1.00  0.00      XSM 
ATOM    122 H15F XSM     1       0.490   1.662 -17.692  1.00  0.00      XSM 
ATOM    123 H15G XSM     1       0.618   0.594 -19.124  1.00  0.00      XSM 
ATOM    124 C16F XSM     1       0.953   2.661 -19.632  1.00  0.00      XSM 
ATOM    125 H16F XSM     1       1.539   2.364 -20.528  1.00  0.00      XSM 
ATOM    126 H16G XSM     1       1.418   3.617 -19.309  1.00  0.00      XSM 
[ C5B ]
ATOM    127 C17F XSM     1      -0.453   2.871 -20.237  1.00  0.00      XSM 
ATOM    128 H17F XSM     1      -0.472   3.765 -20.897  1.00  0.00      XSM 
ATOM    129 H17G XSM     1      -1.163   3.084 -19.409  1.00  0.00      XSM 
ATOM    130 C18F XSM     1      -0.983   1.662 -21.022  1.00  0.00      XSM 
ATOM    131 H18F XSM     1      -1.421   0.941 -20.300  1.00  0.00      XSM 
ATOM    132 H18G XSM     1      -0.142   1.129 -21.514  1.00  0.00      XSM 
ATOM    133 C19F XSM     1      -2.130   2.040 -22.045  1.00  0.00      XSM 
ATOM    134 H19F XSM     1      -1.878   2.800 -22.815  1.00  0.00      XSM 
ATOM    135 H19G XSM     1      -2.915   2.502 -21.409  1.00  0.00      XSM 
ATOM    136 C20F XSM     1      -2.694   0.839 -22.834  1.00  0.00      XSM 
ATOM    137 H20F XSM     1      -3.047   0.021 -22.170  1.00  0.00      XSM 
ATOM    138 H20G XSM     1      -2.136   0.391 -23.685  1.00  0.00      XSM 
[ C6B ]
ATOM    139 C21F XSM     1      -4.055   1.215 -23.515  1.00  0.00      XSM 
ATOM    140 H21F XSM     1      -4.801   1.693 -22.845  1.00  0.00      XSM 
ATOM    141 H21G XSM     1      -4.405   0.216 -23.853  1.00  0.00      XSM 
ATOM    142 C22F XSM     1      -3.996   2.124 -24.888  1.00  0.00      XSM 
ATOM    143 H22F XSM     1      -3.560   3.129 -24.703  1.00  0.00      XSM 
ATOM    144 H22G XSM     1      -5.054   2.383 -25.107  1.00  0.00      XSM 
ATOM    145 C23F XSM     1      -3.438   1.416 -26.119  1.00  0.00      XSM 
ATOM    146 H23F XSM     1      -3.952   0.432 -26.170  1.00  0.00      XSM 
ATOM    147 H23G XSM     1      -2.355   1.206 -25.991  1.00  0.00      XSM 
ATOM    148 C24F XSM     1      -3.689   2.252 -27.365  1.00  0.00      XSM 
ATOM    149 H24F XSM     1      -3.002   3.125 -27.361  1.00  0.00      XSM 
ATOM    150 H24G XSM     1      -4.757   2.557 -27.396  1.00  0.00      XSM 
ATOM    151 H24H XSM     1      -3.420   1.766 -28.327  1.00  0.00      XSM 
END
