REMARK  Name = BDB047606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.095   3.109  -0.316  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.935   2.753  -0.318  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -1.438   1.383  -0.137  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -2.126   0.214   0.066  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1       -3.598  -0.009   0.188  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -3.684  -1.530  -0.016  0.00  0.00    +0.009 C 
ATOM      7  C   LIG    1       -2.363  -2.120   0.493  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -1.416  -0.982   0.234  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -0.016  -0.956   0.181  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        0.701   0.229  -0.038  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        2.091  -0.108  -0.035  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        2.187  -1.482   0.189  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        3.412  -2.156   0.254  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1        4.577  -1.403   0.087  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        4.517  -0.030  -0.138  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.284   0.629  -0.200  0.00  0.00    +0.010 A 
ATOM     17  N   LIG    1        0.905  -1.965   0.318  0.00  0.00    -0.354 N 
ATOM     18  H   LIG    1        0.673  -2.932   0.486  0.00  0.00    +0.166 HD
ATOM     19  C   LIG    1       -0.037   1.418  -0.198  0.00  0.00    -0.008 A 
ATOM     20  C   LIG    1        0.414   2.829  -0.431  0.00  0.00    +0.141 C 
ATOM     21  N   LIG    1       -0.829   3.557  -0.488  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1       -0.924   4.553  -0.628  0.00  0.00    +0.149 HD
ENDROOT
TORSDOF 0