REMARK  Name = BDB056394
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.699   4.196   0.316  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1        1.660   3.587   0.084  0.00  0.00    +0.350 A 
ATOM      3  N   LIG    1        0.527   4.307  -0.166  0.00  0.00    -0.273 N 
ATOM      4  H   LIG    1        0.634   5.309  -0.122  0.00  0.00    +0.174 HD
ATOM      5  C   LIG    1       -0.737   3.815  -0.127  0.00  0.00    +0.263 A 
ATOM      6  O   LIG    1       -1.728   4.534  -0.125  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -0.797   2.349  -0.063  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        0.470   1.571   0.022  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1        0.430   0.155   0.025  0.00  0.00    -0.293 N 
ATOM     10  C   LIG    1       -0.849  -0.507   0.034  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1       -2.038   0.253  -0.035  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.294  -0.374  -0.029  0.00  0.00    +0.042 A 
ATOM     13  C   LIG    1       -3.375  -1.768   0.064  0.00  0.00    +0.127 A 
ATOM     14  C   LIG    1       -2.213  -2.538   0.159  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -0.964  -1.907   0.150  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1       -1.974   1.713  -0.099  0.00  0.00    +0.027 A 
ATOM     17  N   LIG    1        1.601   2.224   0.083  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        1.668  -0.559  -0.064  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        2.619  -0.481   0.966  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        3.824  -1.183   0.879  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        4.089  -1.967  -0.241  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1        5.571  -2.835  -0.347  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1        3.162  -2.053  -1.277  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        1.957  -1.350  -1.190  0.00  0.00    +0.027 A 
ENDBRANCH   9  18
BRANCH  13  25
ATOM     25  N   LIG    1       -4.688  -2.424   0.072  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1       -4.713  -3.660   0.153  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1       -5.692  -1.702  -0.003  0.00  0.00    -0.126 OA
ENDBRANCH  13  25
TORSDOF 2