REMARK  Name = BDB062553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.928   0.435  -0.617  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        2.044   0.872  -1.609  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        0.657   0.783  -1.421  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        0.127   0.256  -0.236  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        1.024  -0.180   0.753  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        2.410  -0.093   0.569  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.304   0.140   0.016  0.00  0.00    +0.202 A 
ATOM      8  N   LIG    1       -2.298   0.513  -0.833  0.00  0.00    -0.042 N 
ATOM      9  O   LIG    1       -2.349   1.023  -1.983  0.00  0.00    -0.144 OA
ATOM     10  N   LIG    1       -3.524   0.181  -0.094  0.00  0.00    -0.204 N 
ATOM     11  C   LIG    1       -3.143  -0.364   1.137  0.00  0.00    +0.158 A 
ATOM     12  C   LIG    1       -4.187  -0.758   2.017  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -5.472  -0.595   1.639  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -5.826  -0.022   0.346  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.846   0.353  -0.493  0.00  0.00    +0.116 A 
ATOM     16  N   LIG    1       -1.813  -0.403   1.235  0.00  0.00    -0.205 NA
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1        4.390   0.553  -0.872  0.00  0.00    +0.339 C 
ATOM     18  O   LIG    1        4.860   1.011  -1.901  0.00  0.00    -0.245 OA
BRANCH  17  20
ATOM     19  C   LIG    1        6.516   0.167   0.014  0.00  0.00    +0.280 C 
ATOM     20  O   LIG    1        5.100   0.086   0.186  0.00  0.00    -0.464 OA
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 3