REMARK  Name = BDB006055
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.792   1.889   0.321  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -5.824   1.139   0.367  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -4.996   0.894  -0.821  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -3.920   0.035  -0.693  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -3.067  -0.266  -1.762  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -1.960  -1.141  -1.639  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.752  -1.676  -0.464  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -2.565  -1.420   0.620  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -2.363  -1.861   1.507  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -3.333   0.334  -2.993  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -4.420   1.207  -3.142  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.651  -0.589   0.605  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -4.383  -0.371   1.657  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -5.255   1.490  -2.056  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -5.447   0.481   1.519  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -6.010   0.640   2.349  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.561  -2.618  -0.276  0.00  0.00    +0.159 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.695  -1.924   0.044  0.00  0.00    -0.291 NA
ATOM     19  C   LIG    1        1.168  -1.050  -1.037  0.00  0.00    +0.090 C 
ATOM     20  C   LIG    1        2.631  -0.640  -0.784  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        2.866  -0.180   0.637  0.00  0.00    -0.042 C 
ATOM     22  C   LIG    1        1.958  -0.459   1.592  0.00  0.00    -0.008 C 
ATOM     23  C   LIG    1        0.688  -1.221   1.328  0.00  0.00    +0.112 C 
BRANCH  21  24
ATOM     24  C   LIG    1        4.106   0.563   0.937  0.00  0.00    -0.022 A 
ATOM     25  C   LIG    1        4.078   1.722   1.732  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        5.250   2.433   2.002  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        6.456   1.989   1.474  0.00  0.00    +0.123 A 
ATOM     28  F   LIG    1        7.580   2.670   1.732  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        6.511   0.851   0.681  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        5.338   0.141   0.411  0.00  0.00    +0.011 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 3