REMARK  Name = BDB059073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.742   3.917   2.148  0.00  0.00    +0.065 C 
ATOM      2  C   LIG    1       -0.912   2.554   1.539  0.00  0.00    +0.041 A 
ATOM      3  N   LIG    1        0.175   2.014   0.950  0.00  0.00    -0.232 NA
ATOM      4  C   LIG    1       -0.007   0.800   0.381  0.00  0.00    +0.165 A 
ATOM      5  C   LIG    1       -1.196   0.074   0.380  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1       -0.912  -1.090  -0.379  0.00  0.00    +0.076 A 
ATOM      7  N   LIG    1        0.373  -1.138  -0.745  0.00  0.00    -0.169 NA
ATOM      8  C   LIG    1       -2.283   0.656   1.054  0.00  0.00    +0.073 A 
ATOM      9  N   LIG    1        0.928   0.030  -0.309  0.00  0.00    -0.214 N 
ATOM     10  C   LIG    1       -2.143   1.923   1.619  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        2.305   0.298  -0.587  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        2.934   1.476  -0.164  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        4.286   1.701  -0.456  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        5.014   0.752  -1.171  0.00  0.00    +0.014 A 
ATOM     15  I   LIG    1        7.018   1.093  -1.600  0.00  0.00    -0.044 I 
ATOM     16  C   LIG    1        4.403  -0.423  -1.599  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        3.054  -0.649  -1.308  0.00  0.00    +0.029 A 
ENDBRANCH   9  11
BRANCH   6  18
ATOM     18  C   LIG    1       -1.836  -2.206  -0.801  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1       -1.780  -2.459  -2.312  0.00  0.00    +0.014 C 
ATOM     20  C   LIG    1       -1.541  -3.496  -0.034  0.00  0.00    +0.014 C 
ENDBRANCH   6  18
BRANCH   8  21
ATOM     21  C   LIG    1       -3.571  -0.027   1.203  0.00  0.00    +0.338 C 
ATOM     22  O   LIG    1       -4.624   0.451   0.825  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -3.455  -1.198   1.862  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1       -2.561  -1.394   2.204  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 4