REMARK  Name = BDB055779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.531   1.830   1.011  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        0.847   1.805   0.671  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        1.638   2.932   0.935  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        1.078   4.067   1.522  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -0.285   4.078   1.850  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -1.096   2.964   1.597  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        1.370   0.634   0.069  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        1.732   0.854  -1.355  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        2.511  -0.367  -1.889  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        3.816  -0.563  -1.215  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        4.215  -1.967  -1.269  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        3.801  -0.043   0.169  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        2.422  -0.045   0.868  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1       -2.576   0.376   0.927  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1       -1.244   0.647   0.723  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -0.649  -0.061   0.297  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -3.407   1.133   1.417  0.00  0.00    -0.270 OA
BRANCH  14  22
ATOM     18  C   LIG    1       -2.783  -3.770  -2.070  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -3.119  -3.002  -0.821  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -2.666  -1.683  -0.601  0.00  0.00    +0.059 A 
ATOM     21 CL   LIG    1       -1.726  -0.909  -1.839  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1       -3.011  -1.006   0.584  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1       -3.836  -1.637   1.531  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -4.290  -2.935   1.316  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -3.927  -3.602   0.152  0.00  0.00    +0.128 A 
ATOM     26  F   LIG    1       -4.378  -4.852  -0.029  0.00  0.00    -0.205 F 
ENDBRANCH  14  22
ENDBRANCH   1  15
BRANCH   5  27
ATOM     27  N   LIG    1       -0.866   5.278   2.468  0.00  0.00    +0.056 N 
ATOM     28  O   LIG    1       -2.067   5.256   2.769  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1       -0.116   6.247   2.656  0.00  0.00    -0.126 OA
ENDBRANCH   5  27
TORSDOF 4