REMARK  Name = BDB053233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.193  -1.200  -2.301  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        0.026  -0.638  -1.222  0.00  0.00    +0.223 C 
ATOM      3  N   LIG    1        1.036  -0.194  -0.382  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        0.729   0.248   0.468  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.443  -0.280  -0.564  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        3.318   0.241   0.425  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        4.714   0.141   0.218  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        5.658   0.677   1.235  0.00  0.00    +0.257 A 
ATOM      9  N   LIG    1        5.093   1.254   2.348  0.00  0.00    -0.329 N 
ATOM     10  H   LIG    1        5.750   1.614   3.031  0.00  0.00    +0.168 HD
ATOM     11  C   LIG    1        3.749   1.357   2.560  0.00  0.00    +0.086 A 
ATOM     12  O   LIG    1        6.874   0.611   1.097  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        5.242  -0.456  -0.930  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        4.381  -0.963  -1.892  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        2.863   0.890   1.674  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        2.999  -0.875  -1.709  0.00  0.00    +0.024 A 
ENDBRANCH   3   5
BRANCH   2  17
ATOM     17  C   LIG    1       -1.397  -0.364  -0.682  0.00  0.00    +0.048 C 
ATOM     18  C   LIG    1       -2.455  -0.895  -1.688  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -3.881  -0.635  -1.176  0.00  0.00    -0.009 C 
ATOM     20  C   LIG    1       -4.069  -1.347   0.173  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1       -3.048  -0.818   1.192  0.00  0.00    -0.009 C 
ATOM     22  C   LIG    1       -3.249   0.697   1.371  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1       -3.061   1.419   0.025  0.00  0.00    -0.009 C 
ATOM     24  C   LIG    1       -4.081   0.876  -0.987  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -1.624  -1.081   0.672  0.00  0.00    +0.019 C 
ATOM     26  C   LIG    1       -1.637   1.155  -0.495  0.00  0.00    +0.019 C 
ENDBRANCH   2  17
TORSDOF 2