REMARK  Name = BDB056915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.422   0.879   0.981  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -2.650   0.780   0.262  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1       -3.680   1.672   0.577  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -4.950   1.758  -0.159  0.00  0.00    +0.196 A 
ATOM      5  C   LIG    1       -5.731   0.556  -0.456  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -5.189  -0.587  -1.024  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1       -3.785  -0.733  -1.448  0.00  0.00    +0.257 A 
ATOM      8  O   LIG    1       -3.534  -1.496  -2.382  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -6.042  -1.679  -1.289  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -7.404  -1.625  -0.983  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -7.939  -0.472  -0.423  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -7.107   0.618  -0.168  0.00  0.00    +0.012 A 
ATOM     13  O   LIG    1       -5.428   2.860  -0.414  0.00  0.00    -0.287 OA
ATOM     14  C   LIG    1       -3.517   2.629   1.595  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1       -2.336   2.705   2.317  0.00  0.00    +0.002 A 
ATOM     16  N   LIG    1       -2.737  -0.159  -0.785  0.00  0.00    -0.321 N 
ATOM     17  H   LIG    1       -1.862  -0.591  -1.089  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.295   1.837   2.009  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     19  C   LIG    1        1.662  -0.828   0.939  0.00  0.00    +0.235 A 
ATOM     20  O   LIG    1        0.822   0.098   1.499  0.00  0.00    -0.419 OA
ATOM     21  C   LIG    1       -0.281   0.008   0.686  0.00  0.00    +0.250 A 
ATOM     22  N   LIG    1       -0.123  -0.888  -0.269  0.00  0.00    -0.107 NA
ATOM     23  N   LIG    1        1.134  -1.428  -0.107  0.00  0.00    -0.110 NA
BRANCH  19  24
ATOM     24  C   LIG    1        3.000  -1.003   1.550  0.00  0.00    +0.202 C 
BRANCH  24  27
ATOM     25  O   LIG    1        5.662  -0.366   2.073  0.00  0.00    -0.270 OA
ATOM     26  C   LIG    1        5.328  -0.573   0.910  0.00  0.00    +0.246 C 
ATOM     27  N   LIG    1        4.024  -0.806   0.544  0.00  0.00    -0.303 N 
ATOM     28  H   LIG    1        3.829  -1.147  -0.392  0.00  0.00    +0.150 HD
BRANCH  26  29
ATOM     29  C   LIG    1        6.345  -0.517  -0.175  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1        6.343  -1.329  -1.318  0.00  0.00    +0.053 A 
ATOM     31 CL   LIG    1        5.173  -2.569  -1.604  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1        7.349  -1.180  -2.282  0.00  0.00    +0.021 A 
ATOM     33  C   LIG    1        8.362  -0.235  -2.111  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1        8.382   0.560  -0.969  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        7.383   0.417  -0.005  0.00  0.00    +0.014 A 
ENDBRANCH  26  29
ENDBRANCH  24  27
ENDBRANCH  19  24
ENDBRANCH   1  21
TORSDOF 4