REMARK  Name = BDB045118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.974  -0.018  -0.762  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        2.665   0.936   0.214  0.00  0.00    +0.159 A 
ATOM      3  C   LIG    1        1.466   0.879   0.928  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.529  -0.137   0.678  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.793  -0.181   1.440  0.00  0.00    +0.189 C 
ATOM      6  N   LIG    1       -1.593  -1.350   1.119  0.00  0.00    -0.261 N 
ATOM      7  C   LIG    1       -0.922  -2.573   0.727  0.00  0.00    +0.116 C 
ATOM      8  C   LIG    1       -0.061  -2.309  -0.507  0.00  0.00    +0.055 C 
ATOM      9  C   LIG    1       -2.794  -0.994   0.515  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -3.593  -1.720  -0.045  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -2.919   0.459   0.619  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1       -3.986   1.259   0.251  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -3.866   2.629   0.476  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.700   3.154   1.060  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -1.633   2.318   1.417  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -1.742   0.957   1.173  0.00  0.00    +0.019 A 
ATOM     17  C   LIG    1        0.869  -1.139  -0.262  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1        2.071  -1.057  -0.990  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  20
ATOM     19  C   LIG    1        4.481  -0.771  -2.451  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        4.171   0.143  -1.410  0.00  0.00    -0.491 OA
ENDBRANCH   1  20
BRANCH   2  21
ATOM     21  O   LIG    1        3.559   1.942   0.471  0.00  0.00    -0.503 OA
ATOM     22  H   LIG    1        3.237   2.475   1.213  0.00  0.00    +0.292 HD
ENDBRANCH   2  21
BRANCH   5  23
ATOM     23  O   LIG    1       -0.537  -0.256   2.826  0.00  0.00    -0.364 OA
ATOM     24  H   LIG    1       -1.104  -0.990   3.112  0.00  0.00    +0.213 HD
ENDBRANCH   5  23
TORSDOF 3