REMARK  Name = BDB042620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.993  -0.888   1.508  0.00  0.00    +0.062 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1        6.695  -1.748  -0.873  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1        6.608  -0.316  -0.419  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1        5.475   0.200   0.245  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        5.470   1.554   0.641  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        4.283   2.103   1.343  0.00  0.00    +0.257 A 
ATOM      7  N   LIG    1        3.241   1.230   1.558  0.00  0.00    -0.326 N 
ATOM      8  H   LIG    1        2.452   1.626   2.056  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1        3.228  -0.088   1.172  0.00  0.00    +0.020 A 
ATOM     10  O   LIG    1        4.229   3.271   1.710  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1        6.560   2.390   0.389  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        7.664   1.869  -0.264  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1        8.717   2.657  -0.514  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        4.289  -0.619   0.545  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        7.698   0.537  -0.667  0.00  0.00    +0.042 A 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1        0.819  -0.528   0.596  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.419  -1.344   0.929  0.00  0.00    +0.216 C 
ATOM     18  N   LIG    1       -1.580  -1.020   0.241  0.00  0.00    -0.298 N 
ATOM     19  C   LIG    1       -2.816  -1.743   0.552  0.00  0.00    +0.126 C 
ATOM     20  C   LIG    1       -4.055  -0.842   0.462  0.00  0.00    +0.126 C 
ATOM     21  N   LIG    1       -4.162  -0.128  -0.819  0.00  0.00    -0.298 N 
ATOM     22  C   LIG    1       -5.276   0.593  -1.232  0.00  0.00    +0.218 C 
ATOM     23  O   LIG    1       -5.266   1.246  -2.278  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1       -2.947  -0.078  -1.639  0.00  0.00    +0.126 C 
ATOM     25  C   LIG    1       -1.671   0.023  -0.790  0.00  0.00    +0.126 C 
ATOM     26  O   LIG    1       -0.387  -2.245   1.766  0.00  0.00    -0.276 OA
BRANCH  22  27
ATOM     27  C   LIG    1       -6.542   0.510  -0.377  0.00  0.00    +0.069 C 
ATOM     28  C   LIG    1       -7.397   1.765  -0.559  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -7.346  -0.730  -0.766  0.00  0.00    +0.017 C 
ENDBRANCH  22  27
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4