REMARK  Name = BDB030607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.827  -0.028   1.226  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1        0.533   0.375   0.931  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.499   0.265   1.946  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1       -1.747   0.739   1.278  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1       -2.320   0.017   0.075  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -1.394   1.204  -0.092  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.076   1.016  -0.298  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1        2.090  -0.534   2.321  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.745   0.149  -0.245  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -4.797  -0.334   0.674  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1       -5.964  -0.295  -0.299  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -6.196  -1.646  -0.982  0.00  0.00    +0.065 C 
ATOM     13  O   LIG    1       -5.564   0.653  -1.311  0.00  0.00    -0.381 OA
ATOM     14  N   LIG    1       -4.147   0.696  -1.341  0.00  0.00    -0.093 NA
BRANCH  11  15
ATOM     15  C   LIG    1       -7.244   0.178   0.388  0.00  0.00    +0.387 C 
ATOM     16  F   LIG    1       -7.071   1.399   0.953  0.00  0.00    -0.205 F 
ATOM     17  F   LIG    1       -8.261   0.297  -0.503  0.00  0.00    -0.205 F 
ENDBRANCH  11  15
ENDBRANCH   5   9
BRANCH   1  20
ATOM     18  N   LIG    1        4.845   0.124  -0.776  0.00  0.00    -0.334 N 
ATOM     19  C   LIG    1        4.206  -0.224   0.380  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        2.884   0.155   0.216  0.00  0.00    +0.143 A 
ATOM     21  N   LIG    1        2.732   0.731  -1.037  0.00  0.00    -0.231 NA
ATOM     22  C   LIG    1        3.918   0.695  -1.599  0.00  0.00    +0.200 A 
BRANCH  18  24
ATOM     23  C   LIG    1        7.157   0.719  -0.141  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1        6.254  -0.068  -1.091  0.00  0.00    +0.082 C 
ATOM     25  C   LIG    1        6.629  -1.550  -1.116  0.00  0.00    +0.030 C 
ENDBRANCH  18  24
ENDBRANCH   1  20
TORSDOF 4