REMARK  Name = BDB056388
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.766   3.505  -0.145  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -2.609   3.130  -0.308  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1       -1.668   4.059  -0.647  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1       -2.004   5.006  -0.724  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -0.325   3.881  -0.556  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1        0.472   4.806  -0.646  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        0.070   2.488  -0.317  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -0.985   1.452  -0.132  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1       -0.619   0.095   0.039  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1        0.778  -0.245   0.122  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1        1.759   0.756  -0.043  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        3.125   0.439   0.034  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        3.547  -0.871   0.298  0.00  0.00    +0.055 A 
ATOM     14  C   LIG    1        2.578  -1.864   0.479  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        1.216  -1.552   0.401  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        1.363   2.143  -0.282  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1       -2.237   1.827  -0.146  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -1.654  -0.894   0.038  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -2.628  -0.918   1.050  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1       -3.636  -1.886   1.049  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -3.679  -2.839   0.033  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -4.916  -4.034   0.033  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -2.726  -2.830  -0.983  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1       -1.719  -1.860  -0.982  0.00  0.00    +0.027 A 
ENDBRANCH   9  18
BRANCH  13  25
ATOM     25  C   LIG    1        5.018  -1.207   0.357  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1        5.775  -0.187   0.849  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        5.529  -1.496  -0.870  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        5.290  -2.285   1.143  0.00  0.00    -0.166 F 
ENDBRANCH  13  25
TORSDOF 2