REMARK  Name = BDB016579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.777  -1.053   1.831  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1       -0.244  -1.435   0.727  0.00  0.00    +0.107 C 
ATOM      3  N   LIG    1       -1.349  -0.466   0.582  0.00  0.00    -0.296 NA
ATOM      4  C   LIG    1       -1.824  -0.032   1.900  0.00  0.00    +0.085 C 
ATOM      5  C   LIG    1       -0.751   0.802   2.613  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1        0.685   0.415   2.247  0.00  0.00    +0.025 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.145  -1.450   1.504  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1        2.613  -1.955   2.259  0.00  0.00    +0.146 HD
BRANCH   7  15
ATOM      9  C   LIG    1        5.517   0.872  -2.411  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1        4.708   0.223  -1.396  0.00  0.00    -0.231 N 
ATOM     11  C   LIG    1        5.308  -0.562  -0.418  0.00  0.00    +0.287 A 
ATOM     12  O   LIG    1        6.520  -0.769  -0.364  0.00  0.00    -0.265 OA
ATOM     13  C   LIG    1        4.379  -1.155   0.587  0.00  0.00    +0.129 A 
ATOM     14 CL   LIG    1        5.093  -2.177   1.797  0.00  0.00    -0.076 Cl
ATOM     15  C   LIG    1        3.056  -0.920   0.589  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1        2.625  -0.023  -0.515  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        3.369   0.510  -1.429  0.00  0.00    -0.175 NA
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1       -2.427  -1.042  -0.240  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.438  -0.017  -0.709  0.00  0.00    -0.033 A 
ATOM     20  C   LIG    1       -3.024   1.117  -1.425  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.956   2.054  -1.871  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.312   1.867  -1.613  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.737   0.742  -0.908  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.806  -0.197  -0.460  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4