REMARK  Name = BDB005561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.873   4.414  -0.405  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        4.971   3.597  -0.240  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1        5.238   2.135  -0.167  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        6.674   1.702  -0.302  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1        6.815   0.195  -0.540  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1        5.880  -0.586   0.375  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1        4.511  -0.112   0.197  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        3.858  -0.569   0.828  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        4.243   1.248   0.040  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1        2.842   1.729   0.121  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        2.605   3.112   0.077  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        1.312   3.628   0.177  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        0.233   2.757   0.308  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        0.435   1.374   0.321  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        1.734   0.867   0.221  0.00  0.00    +0.057 A 
ATOM     16  N   LIG    1        3.674   3.996  -0.090  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        3.516   4.993  -0.137  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  14  18
ATOM     18  O   LIG    1       -0.711   0.638   0.444  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -0.602  -0.777   0.312  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.992  -1.394   0.476  0.00  0.00    +0.056 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.957  -0.931  -0.627  0.00  0.00    +0.087 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.334  -1.427  -0.522  0.00  0.00    -0.302 NA
ATOM     23  C   LIG    1       -5.116  -0.756   0.523  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1       -6.309  -1.578   1.029  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -6.941  -2.389  -0.094  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -5.910  -3.290  -0.780  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -4.459  -2.880  -0.498  0.00  0.00    +0.084 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  14  18
TORSDOF 5