REMARK  Name = BDB030852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.857  -2.183   1.001  0.00  0.00    +0.090 A 
ATOM      2  C   LIG    1       -1.303  -3.482   1.061  0.00  0.00    +0.099 A 
ATOM      3  C   LIG    1       -2.599  -3.658   0.632  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1       -3.385  -2.664   0.173  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1       -2.861  -1.437   0.146  0.00  0.00    +0.216 A 
ATOM      6  N   LIG    1       -1.614  -1.164   0.532  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        3.769   0.332  -0.244  0.00  0.00    +0.055 A 
ATOM      8  C   LIG    1        3.724  -0.178   1.074  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.203  -0.145   2.271  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1        2.560  -0.851   1.495  0.00  0.00    +0.063 A 
ATOM     11  C   LIG    1        1.461  -1.054   0.661  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1        0.475  -1.770   1.411  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        0.985  -1.957   2.679  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        1.527  -0.572  -0.658  0.00  0.00    +0.012 A 
ATOM     15  N   LIG    1        2.249  -1.431   2.707  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1        2.868  -1.435   3.508  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1        2.675   0.105  -1.092  0.00  0.00    +0.025 A 
BRANCH   7  20
ATOM     18  O   LIG    1        4.946   0.397  -2.975  0.00  0.00    -0.226 OA
ATOM     19  C   LIG    1        5.263   1.146  -2.065  0.00  0.00    +0.407 C 
ATOM     20  N   LIG    1        4.878   1.082  -0.729  0.00  0.00    -0.233 N 
ATOM     21  C   LIG    1        5.253   2.320  -0.107  0.00  0.00    +0.158 C 
ATOM     22  C   LIG    1        6.386   2.785  -0.983  0.00  0.00    +0.253 C 
ATOM     23  O   LIG    1        6.097   2.220  -2.261  0.00  0.00    -0.448 OA
ENDBRANCH   7  20
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -0.494  -4.631   1.536  0.00  0.00    +0.421 C 
ATOM     25  F   LIG    1       -1.063  -5.835   1.231  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -0.337  -4.649   2.889  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        0.756  -4.687   1.002  0.00  0.00    -0.166 F 
ENDBRANCH   2  24
BRANCH   5  28
ATOM     28  N   LIG    1       -3.695  -0.439  -0.330  0.00  0.00    -0.309 N 
ATOM     29  H   LIG    1       -4.421  -0.919  -0.852  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.035   0.674  -1.024  0.00  0.00    +0.087 C 
ATOM     31  C   LIG    1       -2.630   1.785  -0.021  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -3.799   2.392   0.647  0.00  0.00    -0.314 NA
ATOM     33  H   LIG    1       -4.295   1.619   1.102  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -4.693   3.001  -0.339  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1       -5.180   1.993  -1.379  0.00  0.00    +0.017 C 
ATOM     36  C   LIG    1       -4.014   1.267  -2.053  0.00  0.00    +0.025 C 
ENDBRANCH  28  30
ENDBRANCH   5  28
TORSDOF 5