REMARK  Name = BDB005618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.258  -0.497   0.954  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -0.366   0.716   1.248  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.690   0.938   0.855  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -2.438  -0.040   0.169  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.849   0.305  -0.179  0.00  0.00    +0.048 A 
ATOM      6  N   LIG    1       -4.649  -0.636  -0.811  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -4.116  -1.403  -1.224  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -5.878  -0.269  -1.488  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -6.643   0.714  -0.609  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -5.763   1.911  -0.227  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.348   1.522   0.118  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.525   2.545   0.809  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -3.956   3.665   1.066  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -1.798  -1.267  -0.135  0.00  0.00    +0.131 A 
ATOM     15  N   LIG    1       -2.256   2.183   1.152  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -1.719   2.894   1.627  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -0.468  -1.479   0.262  0.00  0.00    +0.051 A 
ENDROOT
BRANCH  14  18
ATOM     18  O   LIG    1       -2.518  -2.200  -0.847  0.00  0.00    -0.494 OA
ATOM     19  C   LIG    1       -1.954  -3.496  -1.008  0.00  0.00    +0.277 C 
ENDBRANCH  14  18
BRANCH   1  20
ATOM     20  C   LIG    1        1.688  -0.755   1.380  0.00  0.00    +0.119 C 
BRANCH  20  25
ATOM     21  N   LIG    1        6.143   1.000   0.164  0.00  0.00    -0.094 NA
ATOM     22  C   LIG    1        4.945   0.548   0.385  0.00  0.00    +0.060 C 
ATOM     23  C   LIG    1        4.792  -0.616   1.337  0.00  0.00    +0.069 C 
ATOM     24  C   LIG    1        3.860  -1.652   0.718  0.00  0.00    +0.090 C 
ATOM     25  N   LIG    1        2.570  -1.112   0.258  0.00  0.00    -0.297 NA
ATOM     26  C   LIG    1        2.790  -0.011  -0.698  0.00  0.00    +0.090 C 
ATOM     27  C   LIG    1        3.664   1.127  -0.176  0.00  0.00    +0.069 C 
BRANCH  21  29
ATOM     28  C   LIG    1        7.471   2.536  -0.893  0.00  0.00    +0.313 C 
ATOM     29  O   LIG    1        6.130   2.103  -0.697  0.00  0.00    -0.397 OA
ENDBRANCH  21  29
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 4