REMARK  Name = BDB006917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.684   0.050   1.046  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.138  -0.773   0.293  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.545  -0.693   0.221  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1        2.033  -1.677  -0.625  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.389  -1.762  -0.820  0.00  0.00    +0.119 A 
ATOM      6  N   LIG    1        4.258  -0.920  -0.223  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1        3.773   0.052   0.602  0.00  0.00    +0.129 A 
ATOM      8  C   LIG    1        0.940  -2.539  -1.190  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        1.035  -3.970  -0.649  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.943  -2.544  -2.721  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.409   0.189   0.850  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1       -0.317  -1.819  -0.637  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.276   0.945   1.790  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   7  14
ATOM     14  N   LIG    1        4.737   0.899   1.188  0.00  0.00    -0.256 N 
ATOM     15  C   LIG    1        4.517   2.054   1.935  0.00  0.00    +0.221 C 
ATOM     16  O   LIG    1        3.466   2.566   2.284  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        5.867   2.672   2.224  0.00  0.00    +0.098 C 
ATOM     18  C   LIG    1        6.833   1.528   1.978  0.00  0.00    +0.029 C 
ATOM     19  C   LIG    1        6.139   0.707   0.912  0.00  0.00    +0.115 C 
ENDBRANCH   7  14
BRANCH   1  20
ATOM     20  C   LIG    1       -2.204  -0.181   0.941  0.00  0.00    +0.181 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -4.285   0.225  -0.366  0.00  0.00    +0.097 C 
ATOM     22  N   LIG    1       -2.780   0.259  -0.359  0.00  0.00    -0.286 NA
ATOM     23  C   LIG    1       -2.365   1.649  -0.695  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -2.980   2.747   0.215  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1       -2.531   4.133  -0.249  0.00  0.00    +0.025 C 
ATOM     26  N   LIG    1       -4.455   2.696   0.209  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1       -4.780   2.935  -0.729  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -4.920   1.336   0.526  0.00  0.00    +0.102 C 
BRANCH  21  29
ATOM     29  C   LIG    1       -4.938  -1.145  -0.031  0.00  0.00    +0.179 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -3.825  -2.541  -1.620  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1       -5.059  -2.016  -1.161  0.00  0.00    -0.381 OA
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5