REMARK  Name = BDB062322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.508   0.429   0.517  0.00  0.00    +0.023 C 
ATOM      2  C   LIG    1       -4.002  -1.038   0.579  0.00  0.00    +0.043 C 
ATOM      3  C   LIG    1       -2.518  -0.850   0.494  0.00  0.00    -0.043 A 
ATOM      4  C   LIG    1       -2.206   0.404  -0.036  0.00  0.00    -0.043 A 
ATOM      5  C   LIG    1       -0.892   0.783  -0.257  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        0.137  -0.110   0.084  0.00  0.00    -0.036 A 
ATOM      7  C   LIG    1        1.570   0.288  -0.162  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        2.524  -0.459   0.781  0.00  0.00    +0.031 C 
ATOM      9  C   LIG    1        2.320  -1.968   0.647  0.00  0.00    +0.088 C 
ATOM     10  C   LIG    1        0.888  -2.360   0.933  0.00  0.00    +0.164 C 
ATOM     11  O   LIG    1        0.605  -3.472   1.371  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1       -0.188  -1.383   0.606  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -1.523  -1.757   0.813  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.453   1.176  -0.342  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        3.970  -0.054   0.549  0.00  0.00    -0.040 A 
ATOM     16  C   LIG    1        4.627  -0.316  -0.666  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1        5.954   0.076  -0.847  0.00  0.00    +0.158 A 
ATOM     18  C   LIG    1        6.641   0.731   0.173  0.00  0.00    +0.158 A 
ATOM     19  C   LIG    1        6.006   0.998   1.382  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        4.677   0.607   1.568  0.00  0.00    +0.008 A 
BRANCH  17  21
ATOM     21  O   LIG    1        6.594  -0.178  -2.029  0.00  0.00    -0.503 OA
ATOM     22  H   LIG    1        6.003  -0.678  -2.611  0.00  0.00    +0.292 HD
ENDBRANCH  17  21
BRANCH  18  23
ATOM     23  O   LIG    1        7.939   1.107  -0.025  0.00  0.00    -0.503 OA
ATOM     24  H   LIG    1        8.273   1.529   0.781  0.00  0.00    +0.292 HD
ENDBRANCH  18  23
ENDBRANCH   8  15
BRANCH   1  26
ATOM     25  C   LIG    1       -6.804  -0.299  -0.293  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -5.939   0.668   0.058  0.00  0.00    -0.076 C 
ATOM     27  C   LIG    1       -6.384   2.110   0.055  0.00  0.00    +0.039 C 
ENDBRANCH   1  26
TORSDOF 4