REMARK  Name = BDB056385
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.823   4.345  -1.439  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -1.959   3.257  -0.888  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1       -3.174   2.952  -0.346  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1       -3.885   3.658  -0.458  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -3.591   1.700  -0.030  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1       -4.761   1.432   0.215  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -2.516   0.701  -0.040  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -1.139   1.115  -0.418  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1       -0.066   0.189  -0.328  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1       -0.375  -1.211  -0.135  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -1.691  -1.569   0.258  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.020  -2.896   0.568  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -1.066  -3.897   0.459  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        0.204  -3.583  -0.010  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        0.560  -2.257  -0.350  0.00  0.00    +0.079 A 
ATOM     16  C   LIG    1       -2.753  -0.565   0.317  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1       -0.944   2.348  -0.808  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        1.192   0.747   0.093  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1        1.928   1.585  -0.761  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        3.139   2.130  -0.338  0.00  0.00    +0.043 A 
ATOM     21 CL   LIG    1        4.039   3.143  -1.400  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        3.631   1.861   0.938  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        2.906   1.040   1.800  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        1.694   0.487   1.382  0.00  0.00    +0.026 A 
ENDBRANCH   9  18
BRANCH  15  25
ATOM     25  C   LIG    1        1.912  -2.064  -1.002  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1        2.888  -1.716  -0.122  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        2.368  -3.210  -1.596  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        1.919  -1.138  -1.998  0.00  0.00    -0.166 F 
ENDBRANCH  15  25
TORSDOF 2