REMARK  Name = BDB005557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.039  -2.776   0.581  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        4.962  -2.228   0.367  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1        4.857  -0.764   0.129  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        6.141   0.023   0.178  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1        5.987   1.435  -0.396  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1        4.696   2.079   0.095  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1        3.566   1.214  -0.232  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        2.683   1.583   0.110  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        3.667  -0.170  -0.091  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1        2.440  -1.002  -0.169  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        2.547  -2.378   0.087  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1        1.427  -3.209   0.053  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        0.181  -2.669  -0.260  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        0.050  -1.310  -0.552  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1        1.178  -0.484  -0.510  0.00  0.00    +0.057 A 
ATOM     16  N   LIG    1        3.797  -2.940   0.359  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        3.889  -3.933   0.525  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  14  18
ATOM     18  O   LIG    1       -1.223  -0.920  -0.864  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -1.426   0.455  -1.202  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.916   0.693  -1.511  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.752   1.027  -0.333  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1       -5.110   1.383  -0.779  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1       -6.001   1.791   0.394  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1       -6.063   0.691   1.445  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -4.656   0.276   1.855  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -3.796  -0.078   0.639  0.00  0.00    +0.084 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  14  18
TORSDOF 4