REMARK  Name = BDB057390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.710  -0.051  -1.024  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        2.213  -0.428   0.222  0.00  0.00    +0.091 A 
ATOM      3  C   LIG    1        3.577  -0.618   0.337  0.00  0.00    +0.128 A 
ATOM      4  O   LIG    1        4.206  -0.982   1.500  0.00  0.00    -0.491 OA
ATOM      5  C   LIG    1        5.537  -1.355   1.062  0.00  0.00    +0.238 C 
ATOM      6  C   LIG    1        5.845  -0.645  -0.269  0.00  0.00    +0.071 C 
ATOM      7  C   LIG    1        4.446  -0.429  -0.727  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.968  -0.054  -1.968  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        2.589   0.131  -2.110  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1        0.392   0.174  -1.322  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -0.549   0.002  -0.263  0.00  0.00    +0.232 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -1.936   0.298  -0.817  0.00  0.00    +0.082 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.013   0.138   0.248  0.00  0.00    +0.232 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -4.271   0.434  -0.354  0.00  0.00    -0.492 OA
BRANCH  14  17
ATOM     15  C   LIG    1       -6.638   1.035  -1.658  0.00  0.00    +0.047 C 
ATOM     16  C   LIG    1       -6.607   0.652  -0.204  0.00  0.00    -0.009 A 
ATOM     17  C   LIG    1       -5.389   0.351   0.434  0.00  0.00    +0.123 A 
ATOM     18  C   LIG    1       -5.390  -0.002   1.787  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -6.589  -0.057   2.503  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -7.794   0.240   1.874  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -7.803   0.593   0.526  0.00  0.00    +0.007 A 
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  22
ATOM     22  C   LIG    1        6.583   0.681  -0.081  0.00  0.00    +0.132 C 
BRANCH  22  23
ATOM     23  C   LIG    1        8.019   0.453   0.296  0.00  0.00    +0.305 C 
ATOM     24  O   LIG    1        8.568  -0.618   0.490  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1        8.701   1.608   0.414  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1        9.609   1.335   0.663  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 9