REMARK  Name = BDB053121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.751   0.573  -0.602  0.00  0.00    -0.257 N 
ATOM      2  C   LIG    1       -2.538  -0.128   0.396  0.00  0.00    +0.189 C 
ATOM      3  C   LIG    1       -3.417  -1.014  -0.446  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1       -3.141  -0.803  -1.795  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -3.794  -1.478  -2.809  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -4.765  -2.410  -2.437  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.051  -2.642  -1.079  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -4.375  -1.945  -0.071  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -2.086   0.209  -1.893  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -1.618   0.623  -2.936  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -3.324   0.803   1.313  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -4.172   1.796   0.779  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -4.896   2.650   1.616  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -4.785   2.524   2.997  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -5.675   3.576   4.027  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -3.958   1.550   3.550  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -3.234   0.696   2.713  0.00  0.00    +0.010 A 
ENDBRANCH   2  11
BRANCH   2  18
ATOM     18  O   LIG    1       -1.662  -0.969   1.119  0.00  0.00    -0.364 OA
ATOM     19  H   LIG    1       -0.915  -1.119   0.515  0.00  0.00    +0.213 HD
ENDBRANCH   2  18
BRANCH   1  20
ATOM     20  C   LIG    1       -0.749   1.575  -0.287  0.00  0.00    +0.146 C 
BRANCH  20  24
ATOM     21  C   LIG    1        3.099  -0.216   0.515  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        2.311   0.257   1.570  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        1.072   0.849   1.311  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        0.602   0.963  -0.005  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        1.387   0.464  -1.055  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        2.627  -0.128  -0.798  0.00  0.00    +0.012 A 
BRANCH  21  28
ATOM     27  O   LIG    1        4.510  -1.503   1.871  0.00  0.00    -0.287 OA
ATOM     28  C   LIG    1        4.402  -0.851   0.836  0.00  0.00    +0.193 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.575  -0.718  -0.065  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        6.471  -1.790  -0.154  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1        7.591  -1.698  -0.982  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.824  -0.533  -1.712  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.945   0.545  -1.610  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        5.824   0.458  -0.782  0.00  0.00    +0.012 A 
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 6