REMARK  Name = BDB017349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.220   0.007  -0.565  0.00  0.00    -0.314 N 
ATOM      2  H   LIG    1       -2.575   0.131  -1.509  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -3.193  -0.599   0.265  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -4.509  -0.111   0.335  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -5.442  -0.814   1.131  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -6.788  -0.415   1.206  0.00  0.00    -0.305 N 
ATOM      7  H   LIG    1       -7.394  -0.979   1.782  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -7.347   0.668   0.557  0.00  0.00    +0.278 A 
ATOM      9  C   LIG    1       -6.391   1.446  -0.233  0.00  0.00    +0.157 A 
ATOM     10  N   LIG    1       -6.641   2.576  -0.910  0.00  0.00    -0.168 NA
ATOM     11  N   LIG    1       -5.437   2.934  -1.389  0.00  0.00    -0.283 N 
ATOM     12  H   LIG    1       -5.372   3.796  -1.921  0.00  0.00    +0.188 HD
ATOM     13  C   LIG    1       -4.431   2.065  -1.061  0.00  0.00    +0.114 A 
ATOM     14  O   LIG    1       -8.543   0.925   0.669  0.00  0.00    -0.265 OA
ATOM     15  N   LIG    1       -5.139  -1.907   1.856  0.00  0.00    -0.237 NA
ATOM     16  C   LIG    1       -3.864  -2.334   1.797  0.00  0.00    +0.115 A 
ATOM     17  C   LIG    1       -5.029   1.066  -0.334  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -2.879  -1.729   1.032  0.00  0.00    +0.043 A 
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        2.015  -0.103  -0.395  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        1.340  -0.089  -1.620  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -0.059  -0.049  -1.666  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -0.816  -0.026  -0.490  0.00  0.00    +0.031 A 
ATOM     23  C   LIG    1       -0.134  -0.022   0.730  0.00  0.00    +0.025 A 
ATOM     24  C   LIG    1        1.266  -0.061   0.779  0.00  0.00    +0.025 A 
BRANCH  19  27
ATOM     25  O   LIG    1        3.981  -0.421   1.818  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1        4.287  -0.257   0.643  0.00  0.00    +0.248 C 
ATOM     27  N   LIG    1        3.424  -0.142  -0.432  0.00  0.00    -0.282 N 
ATOM     28  H   LIG    1        3.839  -0.162  -1.354  0.00  0.00    +0.155 HD
BRANCH  26  29
ATOM     29  C   LIG    1        5.734  -0.218   0.289  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        6.622  -1.022   1.013  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        7.984  -1.013   0.708  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        8.464  -0.193  -0.313  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.586   0.626  -1.025  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        6.223   0.619  -0.724  0.00  0.00    +0.013 A 
ENDBRANCH  26  29
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 4