REMARK  Name = BDB055361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.756   0.260  -0.166  0.00  0.00    +0.066 A 
ATOM      2  N   LIG    1        2.359   1.317  -0.821  0.00  0.00    -0.319 N 
ATOM      3  H   LIG    1        1.788   2.008  -1.291  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1        3.728   1.509  -0.922  0.00  0.00    +0.273 A 
ATOM      5  O   LIG    1        4.187   2.471  -1.529  0.00  0.00    -0.266 OA
ATOM      6  C   LIG    1        4.522   0.498  -0.265  0.00  0.00    +0.113 A 
ATOM      7  N   LIG    1        3.902  -0.547   0.388  0.00  0.00    -0.287 N 
ATOM      8  C   LIG    1        4.870  -1.356   0.919  0.00  0.00    +0.199 A 
ATOM      9  C   LIG    1        6.108  -0.843   0.616  0.00  0.00    +0.060 A 
ATOM     10  F   LIG    1        4.650  -2.475   1.625  0.00  0.00    -0.185 F 
ATOM     11  C   LIG    1        5.889   0.338  -0.139  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1        2.521  -0.667   0.439  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -2.551   0.095  -0.114  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1       -1.793  -0.988  -0.583  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -0.393  -0.936  -0.600  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        0.288   0.198  -0.142  0.00  0.00    -0.000 A 
ATOM     17  C   LIG    1       -0.458   1.281   0.332  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1       -1.855   1.228   0.349  0.00  0.00    +0.007 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -4.565  -0.079   1.379  0.00  0.00    +0.046 C 
ATOM     20  C   LIG    1       -4.079   0.080  -0.065  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -4.742  -0.987  -0.946  0.00  0.00    +0.046 C 
BRANCH  20  22
ATOM     22  O   LIG    1       -4.563   1.342  -0.546  0.00  0.00    -0.385 OA
ATOM     23  H   LIG    1       -4.046   1.560  -1.341  0.00  0.00    +0.211 HD
ENDBRANCH  20  22
ENDBRANCH  13  20
ENDBRANCH   1  16
TORSDOF 3