REMARK  Name = BDB047615
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.061  -3.083  -0.184  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.905  -2.715  -0.146  0.00  0.00    +0.252 C 
ATOM      3  C   LIG    1        1.446  -1.336  -0.010  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        2.157  -0.177   0.092  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1        3.634   0.037   0.125  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1        3.719   1.542  -0.162  0.00  0.00    +0.009 C 
ATOM      7  C   LIG    1        2.430   2.167   0.387  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.456   1.024   0.238  0.00  0.00    -0.029 A 
ATOM      9  C   LIG    1        0.042   1.039   0.268  0.00  0.00    +0.025 A 
ATOM     10  C   LIG    1       -0.715  -0.146   0.147  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -2.147   0.143   0.197  0.00  0.00    -0.002 A 
ATOM     12  C   LIG    1       -2.397   1.509   0.363  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -3.705   2.035   0.442  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.795   1.173   0.352  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.590  -0.185   0.186  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.290  -0.698   0.109  0.00  0.00    +0.009 A 
ATOM     17  S   LIG    1       -0.952   2.418   0.454  0.00  0.00    -0.088 S 
ATOM     18  C   LIG    1        0.050  -1.333   0.009  0.00  0.00    +0.058 A 
ATOM     19  C   LIG    1       -0.356  -2.738  -0.121  0.00  0.00    +0.252 C 
ATOM     20  O   LIG    1       -1.481  -3.192  -0.140  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1        0.786  -3.476  -0.213  0.00  0.00    -0.248 N 
ATOM     22  H   LIG    1        0.795  -4.479  -0.302  0.00  0.00    +0.158 HD
ENDROOT
TORSDOF 0