REMARK  Name = BDB047607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.923   0.041  -0.338  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -3.770   0.419  -0.292  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -2.599  -0.441  -0.139  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -2.528  -1.812  -0.017  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -1.264  -2.395   0.119  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -0.126  -1.556   0.124  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -0.192  -0.159   0.001  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.151   0.339   0.049  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        1.996  -0.762   0.201  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        3.390  -0.648   0.285  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        3.942   0.632   0.214  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        3.131   1.752   0.063  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        1.739   1.619  -0.020  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1        1.204  -1.884   0.243  0.00  0.00    -0.354 N 
ATOM     15  H   LIG    1        1.557  -2.825   0.347  0.00  0.00    +0.166 HD
ATOM     16  C   LIG    1       -1.475   0.377  -0.132  0.00  0.00    +0.061 A 
ATOM     17  C   LIG    1       -1.941   1.753  -0.282  0.00  0.00    +0.260 A 
ATOM     18  O   LIG    1       -1.264   2.760  -0.322  0.00  0.00    -0.267 OA
ATOM     19  N   LIG    1       -3.300   1.692  -0.369  0.00  0.00    -0.289 N 
ATOM     20  H   LIG    1       -3.889   2.502  -0.478  0.00  0.00    +0.172 HD
ENDROOT
TORSDOF 0