REMARK  Name = BDB051240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.039   1.285   0.391  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.063   2.224   0.041  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -1.288   1.862   0.006  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -1.679   0.557   0.339  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -0.700  -0.381   0.691  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        0.652  -0.018   0.726  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.064   0.190   0.305  0.00  0.00    -0.251 N 
ATOM      8  C   LIG    1       -3.577  -1.086  -0.036  0.00  0.00    +0.204 A 
ATOM      9  C   LIG    1       -4.936  -0.968  -0.072  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1       -6.221  -1.704  -0.333  0.00  0.00    +0.048 C 
ATOM     11  C   LIG    1       -7.055  -0.522  -0.942  0.00  0.00    +0.025 C 
ATOM     12  C   LIG    1       -6.787   0.441   0.267  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1       -7.323  -0.510   1.338  0.00  0.00    -0.022 C 
ATOM     14  C   LIG    1       -6.990  -1.773   0.984  0.00  0.00    -0.022 C 
ATOM     15  C   LIG    1       -5.288   0.356   0.286  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -4.155   1.053   0.577  0.00  0.00    +0.204 A 
BRANCH   8  17
ATOM     17  O   LIG    1       -2.805  -2.131  -0.320  0.00  0.00    -0.493 OA
ATOM     18  H   LIG    1       -3.398  -2.868  -0.551  0.00  0.00    +0.294 HD
ENDBRANCH   8  17
BRANCH  16  19
ATOM     19  O   LIG    1       -4.052   2.282   1.080  0.00  0.00    -0.493 OA
ATOM     20  H   LIG    1       -3.204   2.352   1.553  0.00  0.00    +0.294 HD
ENDBRANCH  16  19
ENDBRANCH   4   7
BRANCH   1  22
ATOM     21  O   LIG    1        2.712   2.888   0.697  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1        2.466   1.720   0.419  0.00  0.00    +0.248 C 
ATOM     23  N   LIG    1        3.380   0.743   0.092  0.00  0.00    -0.280 N 
ATOM     24  H   LIG    1        3.047  -0.161  -0.235  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.794   0.833   0.059  0.00  0.00    +0.060 A 
ATOM     26  C   LIG    1        5.468  -0.321  -0.374  0.00  0.00    +0.092 A 
ATOM     27  C   LIG    1        6.879  -0.293  -0.428  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        7.550  -1.444  -0.863  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1        6.826  -2.572  -1.226  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        5.449  -2.514  -1.142  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        7.581   0.863  -0.053  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1        6.893   1.994   0.378  0.00  0.00    +0.003 A 
ATOM     33  N   LIG    1        4.764  -1.425  -0.728  0.00  0.00    -0.253 NA
ATOM     34  C   LIG    1        5.501   1.980   0.435  0.00  0.00    +0.025 A 
ENDBRANCH  23  25
ENDBRANCH   1  22
TORSDOF 5