REMARK  Name = BDB001853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.290   0.780   0.511  0.00  0.00    +0.134 A 
ATOM      2  S   LIG    1       -1.228   2.026   1.809  0.00  0.00    -0.026 S 
ATOM      3  C   LIG    1        0.455   1.774   1.852  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1        0.815   0.837   0.949  0.00  0.00    -0.185 N 
ATOM      5  C   LIG    1        2.182   0.712   1.067  0.00  0.00    +0.186 A 
ATOM      6  N   LIG    1        2.574   1.564   2.017  0.00  0.00    -0.126 NA
ATOM      7  N   LIG    1        1.469   2.240   2.516  0.00  0.00    -0.120 NA
ATOM      8  N   LIG    1       -0.141   0.254   0.175  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  11
ATOM      9 CL   LIG    1       -1.410  -1.441  -1.807  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -2.729  -0.552  -1.125  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -2.608   0.414  -0.104  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -3.791   1.046   0.336  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -5.039   0.732  -0.214  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.138  -0.221  -1.216  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.988  -0.860  -1.669  0.00  0.00    +0.020 A 
ENDBRANCH   1  11
BRANCH   5  16
ATOM     16  C   LIG    1        3.066  -0.178   0.307  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        2.611  -1.055  -0.681  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        3.531  -1.855  -1.342  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        4.856  -1.845  -1.092  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        5.282  -0.995  -0.137  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1        4.440  -0.157   0.577  0.00  0.00    +0.031 A 
ENDBRANCH   5  16
TORSDOF 2