REMARK  Name = BDB056401
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.053   4.454  -1.536  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -0.447   3.534  -0.896  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1       -1.601   3.773  -0.209  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1       -1.968   4.708  -0.298  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -2.465   2.812   0.205  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1       -3.609   3.059   0.566  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -1.907   1.455   0.151  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1       -0.534   1.250  -0.383  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.059  -0.039  -0.348  0.00  0.00    -0.292 N 
ATOM     10  C   LIG    1       -0.765  -1.177   0.000  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -2.064  -0.946   0.519  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.882  -2.008   0.936  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.448  -3.321   0.814  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -1.208  -3.580   0.243  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -0.379  -2.529  -0.179  0.00  0.00    +0.065 A 
ATOM     16 CL   LIG    1        1.050  -3.029  -1.024  0.00  0.00    -0.081 Cl
ATOM     17  C   LIG    1       -2.606   0.410   0.605  0.00  0.00    +0.027 A 
ATOM     18  N   LIG    1        0.104   2.286  -0.862  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  19
ATOM     19  C   LIG    1        1.493  -0.071  -0.272  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        2.281   0.336  -1.361  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        3.676   0.309  -1.282  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        4.295  -0.122  -0.112  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        6.012  -0.157  -0.014  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        3.533  -0.523   0.983  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1        2.137  -0.496   0.905  0.00  0.00    +0.027 A 
ENDBRANCH   9  19
TORSDOF 1