REMARK  Name = BDB038856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -0.121   2.644  -0.096  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1        1.022   1.912  -0.059  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1        0.960   0.559  -0.140  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -0.303  -0.041  -0.218  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1       -0.675  -1.367  -0.245  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1       -0.033  -2.146  -0.195  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.039  -1.501  -0.336  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -2.575  -0.215  -0.343  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.976  -0.069  -0.423  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -4.783  -1.210  -0.495  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.216  -2.482  -0.486  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.831  -2.653  -0.405  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -1.482   0.704  -0.254  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -1.395   2.102  -0.201  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1        2.229  -0.172  -0.117  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        2.511  -1.195  -1.038  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1        3.729  -1.870  -0.993  0.00  0.00    +0.159 A 
ATOM     18  F   LIG    1        3.966  -2.849  -1.878  0.00  0.00    -0.202 F 
ATOM     19  C   LIG    1        4.688  -1.538  -0.046  0.00  0.00    +0.158 A 
ATOM     20  F   LIG    1        5.856  -2.194  -0.007  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1        4.445  -0.519   0.865  0.00  0.00    +0.042 A 
ATOM     22  C   LIG    1        3.224   0.162   0.824  0.00  0.00    +0.013 A 
ENDBRANCH   3  15
BRANCH   1  24
ATOM     23  O   LIG    1       -0.920   4.924  -0.056  0.00  0.00    -0.243 OA
ATOM     24  C   LIG    1        0.005   4.130  -0.016  0.00  0.00    +0.355 C 
BRANCH  24  25
ATOM     25  OXT LIG    1        1.277   4.555   0.114  0.00  0.00    -0.476 OA
ATOM     26  HXT LIG    1        1.211   5.530   0.147  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 3