REMARK  Name = BDB059437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.343   0.186  -0.189  0.00  0.00    +0.006 C 
ATOM      2  C   LIG    1        2.855  -1.217  -0.076  0.00  0.00    +0.224 C 
ATOM      3  O   LIG    1        3.617  -2.177   0.038  0.00  0.00    -0.284 OA
ATOM      4  C   LIG    1        1.381  -1.491  -0.151  0.00  0.00    +0.168 C 
ATOM      5  C   LIG    1        0.471  -0.492  -0.209  0.00  0.00    +0.012 C 
ATOM      6  C   LIG    1        0.988   0.890  -0.159  0.00  0.00    -0.014 C 
ATOM      7  C   LIG    1        0.175   1.953  -0.057  0.00  0.00    +0.054 C 
ATOM      8  C   LIG    1       -1.282   1.802   0.129  0.00  0.00    +0.161 C 
ATOM      9  C   LIG    1       -1.791   0.415   0.515  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1       -3.346   0.305   0.692  0.00  0.00    -0.024 C 
ATOM     11  C   LIG    1       -3.705  -1.148   1.084  0.00  0.00    +0.007 C 
ATOM     12  C   LIG    1       -3.116  -2.187   0.146  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1       -1.597  -2.063   0.055  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -4.173   0.719  -0.543  0.00  0.00    +0.011 C 
ATOM     15  C   LIG    1       -3.811   1.200   1.872  0.00  0.00    +0.011 C 
ATOM     16  O   LIG    1       -1.976   2.809   0.032  0.00  0.00    -0.292 OA
ATOM     17  C   LIG    1       -1.077  -0.661  -0.376  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -1.349  -0.492  -1.893  0.00  0.00    +0.017 C 
ATOM     19  C   LIG    1        2.419   1.159  -0.249  0.00  0.00    +0.016 C 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1        5.294   1.648  -0.989  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1        4.847   0.378  -0.255  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1        5.451   0.357   1.153  0.00  0.00    +0.012 C 
ENDBRANCH   1  21
BRANCH   4  23
ATOM     23  O   LIG    1        1.048  -2.832  -0.197  0.00  0.00    -0.503 OA
ATOM     24  H   LIG    1        1.904  -3.309  -0.128  0.00  0.00    +0.292 HD
ENDBRANCH   4  23
TORSDOF 2