REMARK  Name = BDB047603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.456   2.701   0.311  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.257   2.512   0.310  0.00  0.00    +0.252 C 
ATOM      3  C   LIG    1       -1.594   1.221   0.138  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.097  -0.041  -0.051  0.00  0.00    -0.028 A 
ATOM      5  C   LIG    1       -3.514  -0.498  -0.168  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -3.358  -2.012   0.051  0.00  0.00    +0.009 C 
ATOM      7  C   LIG    1       -1.957  -2.395  -0.452  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1       -1.209  -1.117  -0.209  0.00  0.00    -0.001 A 
ATOM      9  C   LIG    1        0.165  -0.867  -0.160  0.00  0.00    +0.140 A 
ATOM     10  C   LIG    1        0.707   0.409   0.044  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        2.121   0.234   0.030  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        2.333  -1.127  -0.183  0.00  0.00    +0.136 A 
ATOM     13  C   LIG    1        3.592  -1.720  -0.265  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        4.695  -0.874  -0.122  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.529   0.495   0.091  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.249   1.065   0.170  0.00  0.00    +0.012 A 
ATOM     17  O   LIG    1        1.150  -1.790  -0.299  0.00  0.00    -0.454 OA
ATOM     18  C   LIG    1       -0.220   1.447   0.190  0.00  0.00    +0.061 A 
ATOM     19  C   LIG    1       -0.023   2.876   0.400  0.00  0.00    +0.252 C 
ATOM     20  O   LIG    1        1.040   3.455   0.498  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1       -1.266   3.431   0.462  0.00  0.00    -0.248 N 
ATOM     22  H   LIG    1       -1.432   4.415   0.597  0.00  0.00    +0.158 HD
ENDROOT
TORSDOF 0