REMARK  Name = BDB046341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.424   3.167  -0.941  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -0.899   2.103  -0.635  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -1.670   0.982  -0.045  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -1.008  -0.217   0.279  0.00  0.00    -0.007 A 
ATOM      5  C   LIG    1       -1.768  -1.245   0.861  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -3.138  -1.083   1.095  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.776   0.108   0.758  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.445  -0.342   0.007  0.00  0.00    -0.006 A 
ATOM      9  C   LIG    1        1.163  -1.639   0.302  0.00  0.00    +0.118 C 
ATOM     10  N   LIG    1        2.501  -1.751  -0.298  0.00  0.00    -0.312 NA
ATOM     11  H   LIG    1        2.387  -1.905  -1.300  0.00  0.00    +0.122 HD
ATOM     12  C   LIG    1        3.259  -0.515  -0.088  0.00  0.00    +0.087 C 
ATOM     13  C   LIG    1        2.584   0.682  -0.768  0.00  0.00    +0.068 C 
ATOM     14  C   LIG    1        1.100   0.716  -0.510  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -3.042   1.145   0.189  0.00  0.00    +0.014 A 
ATOM     16  N   LIG    1        0.446   1.885  -0.814  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        0.956   2.667  -1.209  0.00  0.00    +0.169 HD
ENDROOT
TORSDOF 0