REMARK  Name = BDB056539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.084   2.315  -0.553  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1       -4.844   1.884  -0.050  0.00  0.00    +0.147 HD
ATOM      3  H   LIG    1       -4.138   3.319  -0.679  0.00  0.00    +0.147 HD
ATOM      4  C   LIG    1       -2.814   1.800  -0.584  0.00  0.00    +0.317 C 
ATOM      5  N   LIG    1       -2.739   0.428  -0.247  0.00  0.00    -0.255 N 
ATOM      6  C   LIG    1       -1.565  -0.299  -0.050  0.00  0.00    +0.149 A 
ATOM      7  C   LIG    1       -1.902  -1.606   0.292  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -0.857  -2.502   0.556  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        0.451  -2.024   0.455  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        0.688  -0.697   0.094  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1       -3.311  -1.698   0.282  0.00  0.00    +0.030 A 
ATOM     12  N   LIG    1       -0.309   0.183  -0.151  0.00  0.00    -0.229 NA
ATOM     13  C   LIG    1       -3.800  -0.458  -0.062  0.00  0.00    +0.098 A 
ATOM     14  O   LIG    1       -1.831   2.471  -0.857  0.00  0.00    -0.249 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1        2.057  -0.136  -0.035  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.171  -0.931  -0.373  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        4.452  -0.380  -0.486  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        4.638   0.978  -0.269  0.00  0.00    +0.123 A 
ATOM     19  F   LIG    1        5.864   1.504  -0.379  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        3.566   1.797   0.053  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1        2.288   1.242   0.165  0.00  0.00    +0.013 A 
ENDBRANCH  10  15
TORSDOF 1