REMARK  Name = BDB008454
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.908   0.177   0.366  0.00  0.00    -0.289 NA
ATOM      2  C   LIG    1       -1.412  -0.765  -0.655  0.00  0.00    +0.139 C 
ATOM      3  C   LIG    1        0.073  -0.814  -0.559  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.871   0.188  -0.055  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        0.291   1.400   0.433  0.00  0.00    +0.085 A 
ATOM      6  N   LIG    1        0.953   2.398   0.927  0.00  0.00    -0.174 NA
ATOM      7  N   LIG    1        2.302   2.495   1.108  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1        2.568   3.382   1.531  0.00  0.00    +0.192 HD
ATOM      9  C   LIG    1        3.417   1.717   0.864  0.00  0.00    +0.273 A 
ATOM     10  C   LIG    1        3.394   0.375   0.260  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1        4.591  -0.333   0.055  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1        4.569  -1.603  -0.510  0.00  0.00    +0.126 A 
ATOM     13  C   LIG    1        3.381  -2.226  -0.891  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1        2.199  -1.511  -0.682  0.00  0.00    +0.051 A 
ATOM     15  F   LIG    1        5.726  -2.255  -0.693  0.00  0.00    -0.205 F 
ATOM     16  O   LIG    1        4.518   2.184   1.175  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1        2.198  -0.230  -0.119  0.00  0.00    +0.021 A 
ATOM     18  N   LIG    1        0.883  -1.847  -0.940  0.00  0.00    -0.356 N 
ATOM     19  H   LIG    1        0.579  -2.727  -1.336  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1       -1.242   1.511   0.279  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   1  22
ATOM     21  C   LIG    1       -4.055   0.721  -0.882  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -3.377   0.303   0.428  0.00  0.00    +0.051 C 
ATOM     23  C   LIG    1       -4.013  -0.988   0.958  0.00  0.00    +0.024 C 
ENDBRANCH   1  22
TORSDOF 1