REMARK  Name = BDB053188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.144  -1.572   1.536  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        0.553  -0.646   0.842  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        2.005  -0.384   0.742  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        2.498   0.720   0.040  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1        3.889   0.913  -0.021  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        4.764   0.024   0.612  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        4.262  -1.069   1.312  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        1.542   1.651  -0.607  0.00  0.00    +0.191 C 
ATOM      9  O   LIG    1        1.867   2.692  -1.165  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1        0.109   1.302  -0.566  0.00  0.00    +0.064 C 
ATOM     11  C   LIG    1        2.886  -1.274   1.377  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -0.373   0.238   0.088  0.00  0.00    +0.037 C 
ENDROOT
BRANCH  12  13
ATOM     13  C   LIG    1       -1.827  -0.023   0.071  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -2.519  -0.305  -1.118  0.00  0.00    +0.128 A 
ATOM     15  C   LIG    1       -3.894  -0.542  -1.111  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1       -4.584  -0.504   0.095  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1       -3.925  -0.235   1.290  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -2.548   0.005   1.275  0.00  0.00    +0.016 A 
BRANCH  14  19
ATOM     19  O   LIG    1       -1.830  -0.355  -2.301  0.00  0.00    -0.506 OA
ATOM     20  H   LIG    1       -2.446  -0.605  -3.011  0.00  0.00    +0.292 HD
ENDBRANCH  14  19
BRANCH  16  21
ATOM     21  O   LIG    1       -5.926  -0.744   0.064  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1       -6.269  -0.714   0.973  0.00  0.00    +0.292 HD
ENDBRANCH  16  21
ENDBRANCH  12  13
BRANCH   5  23
ATOM     23  O   LIG    1        4.421   1.969  -0.704  0.00  0.00    -0.506 OA
ATOM     24  H   LIG    1        5.389   1.970  -0.635  0.00  0.00    +0.292 HD
ENDBRANCH   5  23
TORSDOF 4