REMARK  Name = BDB065408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.022  -1.612  -0.938  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1       -2.099  -0.821  -1.577  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -2.311  -0.102  -2.544  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.764  -0.968  -0.932  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        0.282  -0.252  -1.367  0.00  0.00    +0.035 C 
ATOM      6  S   LIG    1       -0.868  -2.086   0.369  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1       -2.578  -2.369   0.109  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1       -3.225  -3.154   0.785  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        1.601  -0.293  -0.827  0.00  0.00    +0.015 A 
ATOM     10  S   LIG    1        2.490   1.179  -0.723  0.00  0.00    -0.074 S 
ATOM     11  C   LIG    1        3.883   0.416  -0.073  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1        3.659  -0.934   0.090  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        2.370  -1.344  -0.363  0.00  0.00    +0.017 A 
BRANCH  11  14
ATOM     14  N   LIG    1        4.965   1.170   0.246  0.00  0.00    -0.309 N 
ATOM     15  H   LIG    1        4.844   2.178   0.211  0.00  0.00    +0.153 HD
BRANCH  14  16
ATOM     16  C   LIG    1        6.317   0.790   0.354  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        7.172   1.592   1.128  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        8.516   1.252   1.314  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        9.020   0.095   0.729  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       10.671  -0.330   0.953  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        8.192  -0.719  -0.037  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        6.847  -0.373  -0.217  0.00  0.00    +0.024 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   5   9
BRANCH   1  23
ATOM     23  C   LIG    1       -4.413  -1.628  -1.337  0.00  0.00    +0.152 C 
BRANCH  23  28
ATOM     24  C   LIG    1       -7.410   2.436   1.574  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -6.668   1.381   0.809  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1       -6.048   1.691  -0.406  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -5.329   0.718  -1.104  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.215  -0.583  -0.597  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -5.817  -0.886   0.632  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -6.535   0.089   1.329  0.00  0.00    +0.003 A 
ENDBRANCH  23  28
ENDBRANCH   1  23
TORSDOF 5