REMARK  Name = BDB057975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.452   2.038   0.464  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1        0.965   0.787   0.076  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        0.038  -0.224  -0.277  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -1.362  -0.054  -0.264  0.00  0.00    -0.023 A 
ATOM      5  C   LIG    1       -2.287  -1.217  -0.678  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1       -3.733  -0.795  -0.574  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -4.207   0.439  -0.179  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -3.312   1.516   0.197  0.00  0.00    +0.196 C 
ATOM      9  O   LIG    1       -3.711   2.619   0.552  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1       -5.629   0.394  -0.229  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -5.983  -0.886  -0.660  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -7.316  -1.287  -0.825  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1       -8.320  -0.349  -0.540  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1       -7.993   0.938  -0.107  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1       -6.655   1.319   0.051  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -4.815  -1.588  -0.863  0.00  0.00    -0.357 N 
ATOM     17  H   LIG    1       -4.774  -2.547  -1.181  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1       -1.990  -1.621  -2.139  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -2.052  -2.424   0.257  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -1.849   1.203   0.132  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -0.951   2.221   0.488  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   2  22
ATOM     22  N   LIG    1        2.307   0.423  -0.008  0.00  0.00    -0.330 N 
ATOM     23  C   LIG    1        2.786  -0.481   1.039  0.00  0.00    +0.106 C 
ATOM     24  C   LIG    1        3.938  -1.327   0.496  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1        5.073  -0.455  -0.090  0.00  0.00    +0.059 C 
ATOM     26  C   LIG    1        4.462   0.506  -1.137  0.00  0.00    +0.038 C 
ATOM     27  C   LIG    1        3.312   1.326  -0.549  0.00  0.00    +0.106 C 
BRANCH  25  28
ATOM     28  N   LIG    1        6.168  -1.290  -0.667  0.00  0.00    -0.305 NA
ATOM     29  C   LIG    1        7.238  -0.479  -1.261  0.00  0.00    +0.104 C 
ATOM     30  C   LIG    1        6.764  -2.192   0.326  0.00  0.00    +0.104 C 
ENDBRANCH  25  28
ENDBRANCH   2  22
BRANCH   1  32
ATOM     31  C   LIG    1        1.778   3.058   2.358  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1        1.276   3.217   0.931  0.00  0.00    +0.033 C 
ENDBRANCH   1  32
BRANCH  13  33
ATOM     33  C   LIG    1       -9.697  -0.720  -0.696  0.00  0.00    +0.099 C 
ATOM     34  N   LIG    1      -10.809  -1.029  -0.824  0.00  0.00    -0.191 NA
ENDBRANCH  13  33
TORSDOF 4