REMARK  Name = BDB059063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.183   2.265  -1.054  0.00  0.00    +0.044 A 
ATOM      2  N   LIG    1       -0.065   1.841  -0.426  0.00  0.00    -0.232 NA
ATOM      3  C   LIG    1        0.013   0.509  -0.201  0.00  0.00    +0.165 A 
ATOM      4  C   LIG    1       -0.938  -0.436  -0.577  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1       -0.444  -1.669  -0.078  0.00  0.00    +0.076 A 
ATOM      6  N   LIG    1        0.762  -1.524   0.481  0.00  0.00    -0.169 NA
ATOM      7  C   LIG    1       -2.060   0.049  -1.269  0.00  0.00    +0.073 A 
ATOM      8  N   LIG    1        1.035  -0.190   0.439  0.00  0.00    -0.214 N 
ATOM      9  C   LIG    1       -2.195   1.421  -1.486  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.253   0.293   1.010  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1        3.140  -0.625   1.601  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        4.337  -0.183   2.165  0.00  0.00    +0.043 A 
ATOM     13 CL   LIG    1        5.414  -1.316   2.884  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        4.668   1.169   2.152  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.796   2.086   1.570  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        2.593   1.653   1.000  0.00  0.00    +0.028 A 
ENDBRANCH   8  10
BRANCH   5  17
ATOM     17  C   LIG    1       -1.084  -3.034  -0.098  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1       -0.383  -3.966  -1.088  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -1.126  -3.670   1.296  0.00  0.00    +0.014 C 
ENDBRANCH   5  17
BRANCH   1  21
ATOM     20  C   LIG    1       -2.030   4.419  -0.098  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -1.309   3.755  -1.260  0.00  0.00    +0.052 C 
ENDBRANCH   1  21
BRANCH   7  22
ATOM     22  C   LIG    1       -3.105  -0.836  -1.791  0.00  0.00    +0.338 C 
ATOM     23  O   LIG    1       -4.279  -0.723  -1.494  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -2.622  -1.728  -2.678  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1       -1.676  -1.623  -2.901  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 5