REMARK  Name = BDB055781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.113  -1.912  -0.380  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        1.276  -1.627  -0.313  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.193  -2.684  -0.392  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        1.748  -3.999  -0.541  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        0.373  -4.262  -0.613  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -0.564  -3.224  -0.533  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        1.679  -0.278  -0.138  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        2.658   0.218  -1.140  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        4.045   0.520  -0.528  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        4.042   1.425   0.641  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        4.354   2.802   0.270  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        2.762   1.361   1.381  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        2.067  -0.013   1.274  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1       -2.337  -0.754  -0.257  0.00  0.00    +0.248 C 
ATOM     15  N   LIG    1       -0.962  -0.788  -0.305  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -0.433   0.075  -0.213  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -3.085  -1.723  -0.206  0.00  0.00    -0.270 OA
BRANCH  14  24
ATOM     18  C   LIG    1       -6.057   2.251   1.233  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -4.749   2.058   0.529  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1       -4.132   3.127  -0.123  0.00  0.00    +0.126 A 
ATOM     21  F   LIG    1       -4.696   4.343  -0.094  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -2.937   2.960  -0.818  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -2.335   1.701  -0.872  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -2.934   0.613  -0.221  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1       -4.149   0.793   0.461  0.00  0.00    +0.019 A 
ENDBRANCH  14  24
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1       -0.086  -5.648  -0.775  0.00  0.00    +0.056 N 
ATOM     27  O   LIG    1        0.766  -6.546  -0.698  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1       -1.290  -5.842  -0.985  0.00  0.00    -0.126 OA
ENDBRANCH   5  26
TORSDOF 4