REMARK  Name = BDB058765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.695  -2.062  -0.821  0.00  0.00    +0.243 A 
ATOM      2  C   LIG    1       -3.091  -3.311  -1.244  0.00  0.00    +0.121 A 
ATOM      3 CL   LIG    1       -4.710  -3.738  -1.603  0.00  0.00    -0.076 Cl
ATOM      4  C   LIG    1       -2.072  -4.221  -1.364  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -0.775  -3.942  -1.095  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.482  -2.696  -0.687  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1       -1.410  -1.744  -0.542  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1        0.862  -2.455  -0.423  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        1.391  -3.299  -0.594  0.00  0.00    +0.155 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.577  -1.334   0.009  0.00  0.00    +0.034 A 
ATOM     11  C   LIG    1        2.964  -1.441   0.177  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        3.734  -0.352   0.608  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        3.142   0.885   0.885  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        1.758   1.000   0.719  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        0.994  -0.095   0.288  0.00  0.00    +0.024 A 
BRANCH  13  16
ATOM     16  C   LIG    1        3.977   1.998   1.331  0.00  0.00    +0.179 A 
ATOM     17  N   LIG    1        3.539   3.259   1.638  0.00  0.00    -0.239 N 
ATOM     18  H   LIG    1        2.605   3.645   1.616  0.00  0.00    +0.192 HD
ATOM     19  N   LIG    1        4.562   4.036   2.013  0.00  0.00    -0.046 NA
ATOM     20  N   LIG    1        5.629   3.256   1.939  0.00  0.00    -0.023 NA
ATOM     21  N   LIG    1        5.285   1.994   1.519  0.00  0.00    -0.108 NA
ENDBRANCH  13  16
ENDBRANCH   8  10
ENDBRANCH   6   8
BRANCH   1  22
ATOM     22  O   LIG    1       -3.681  -1.086  -0.677  0.00  0.00    -0.437 OA
BRANCH  22  27
ATOM     23  F   LIG    1       -1.951   3.830   1.013  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -2.394   2.636   0.599  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -2.782   1.687   1.541  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1       -3.222   0.435   1.113  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -3.250   0.147  -0.254  0.00  0.00    +0.131 A 
ATOM     28  C   LIG    1       -2.888   1.112  -1.198  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -2.450   2.363  -0.765  0.00  0.00    +0.042 A 
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 5