REMARK  Name = BDB005565
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.999  -3.028   0.852  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.139  -2.168   0.687  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -4.485  -0.766   0.332  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -5.949  -0.448   0.177  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -6.225   1.059   0.147  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -5.205   1.779  -0.725  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -3.860   1.460  -0.260  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -3.132   1.913  -0.805  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -3.530   0.166   0.137  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -2.107  -0.197   0.338  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -1.790  -1.526   0.652  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -0.466  -1.931   0.834  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        0.570  -1.001   0.719  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        0.282   0.332   0.436  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1       -1.051   0.724   0.249  0.00  0.00    +0.057 A 
ATOM     16  N   LIG    1       -2.812  -2.466   0.805  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -2.599  -3.424   1.046  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  14  18
ATOM     18  O   LIG    1        1.189   1.346   0.303  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.565   1.082   0.583  0.00  0.00    +0.233 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.288   0.596  -0.674  0.00  0.00    +0.076 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.747   0.320  -0.413  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1        5.691   1.353  -0.498  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        7.038   1.101  -0.235  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.453  -0.182   0.117  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.521  -1.214   0.208  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.173  -0.965  -0.055  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  14  18
TORSDOF 4