REMARK  Name = BDB055199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.814  -0.406   0.656  0.00  0.00    +0.038 C 
ATOM      2  C   LIG    1        0.375  -0.582   0.071  0.00  0.00    +0.098 C 
ATOM      3  C   LIG    1        1.608  -1.048   0.778  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        1.704  -1.317   1.962  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1        2.567  -1.099  -0.201  0.00  0.00    -0.216 N 
ATOM      6  C   LIG    1        2.054  -0.726  -1.423  0.00  0.00    +0.313 C 
ATOM      7  O   LIG    1        2.641  -0.677  -2.491  0.00  0.00    -0.252 OA
ATOM      8  N   LIG    1        0.717  -0.414  -1.238  0.00  0.00    -0.265 N 
ATOM      9  H   LIG    1        0.098  -0.141  -1.985  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -6.580   0.923  -1.284  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -5.635   0.141  -0.416  0.00  0.00    -0.008 A 
ATOM     12  C   LIG    1       -4.233   0.319  -0.447  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -3.346  -0.403   0.358  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.024   0.043   0.046  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -2.134   1.026  -0.910  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1       -3.868  -1.361   1.250  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -5.248  -1.564   1.308  0.00  0.00    +0.021 A 
ATOM     18  N   LIG    1       -3.463   1.178  -1.206  0.00  0.00    -0.360 N 
ATOM     19  H   LIG    1       -3.833   1.841  -1.872  0.00  0.00    +0.165 HD
ATOM     20  C   LIG    1       -6.110  -0.830   0.494  0.00  0.00    +0.046 A 
ATOM     21 CL   LIG    1       -7.805  -1.157   0.641  0.00  0.00    -0.083 Cl
ENDBRANCH   1  14
BRANCH   5  22
ATOM     22  C   LIG    1        3.941  -1.477   0.022  0.00  0.00    +0.153 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.790  -0.281   0.387  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1        5.417   0.479  -0.614  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        6.176   1.593  -0.269  0.00  0.00    +0.159 A 
ATOM     26  F   LIG    1        6.771   2.307  -1.234  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        6.313   1.967   1.062  0.00  0.00    +0.158 A 
ATOM     28  F   LIG    1        7.043   3.042   1.390  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1        5.690   1.234   2.066  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        4.926   0.114   1.729  0.00  0.00    +0.008 A 
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 3