REMARK  Name = BDB045285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.331  -1.162   1.629  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        2.062  -1.289   0.013  0.00  0.00    -0.292 OA
ATOM      3  C   LIG    1        1.471  -0.592   0.833  0.00  0.00    +0.164 C 
BRANCH   3   4
ATOM      4  C   LIG    1        1.801   0.847   1.070  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        2.781   1.570   0.507  0.00  0.00    +0.011 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.803   1.146  -0.457  0.00  0.00    -0.021 A 
ATOM      7  C   LIG    1        4.695   0.104  -0.178  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        5.684  -0.234  -1.102  0.00  0.00    +0.159 A 
ATOM      9  C   LIG    1        5.806   0.475  -2.296  0.00  0.00    +0.158 A 
ATOM     10  C   LIG    1        4.933   1.522  -2.579  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.936   1.858  -1.658  0.00  0.00    +0.012 A 
BRANCH   8  12
ATOM     12  O   LIG    1        6.545  -1.264  -0.842  0.00  0.00    -0.503 OA
ATOM     13  H   LIG    1        6.202  -1.766  -0.086  0.00  0.00    +0.292 HD
ENDBRANCH   8  12
BRANCH   9  14
ATOM     14  O   LIG    1        6.785   0.132  -3.186  0.00  0.00    -0.503 OA
ATOM     15  H   LIG    1        6.721   0.707  -3.963  0.00  0.00    +0.292 HD
ENDBRANCH   9  14
ENDBRANCH   5   6
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -0.997  -0.821   1.014  0.00  0.00    +0.164 C 
ATOM     17  O   LIG    1       -1.608   0.183   1.369  0.00  0.00    -0.292 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -1.488  -1.729  -0.066  0.00  0.00    +0.047 C 
ATOM     19  C   LIG    1       -2.729  -1.773  -0.575  0.00  0.00    +0.011 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.889  -0.974  -0.170  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -4.468  -0.089  -1.088  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -5.595   0.649  -0.727  0.00  0.00    +0.159 A 
ATOM     23  C   LIG    1       -6.153   0.505   0.544  0.00  0.00    +0.158 A 
ATOM     24  C   LIG    1       -5.588  -0.377   1.461  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -4.459  -1.119   1.102  0.00  0.00    +0.012 A 
BRANCH  22  26
ATOM     26  O   LIG    1       -6.165   1.519  -1.614  0.00  0.00    -0.503 OA
ATOM     27  H   LIG    1       -5.615   1.561  -2.411  0.00  0.00    +0.292 HD
ENDBRANCH  22  26
BRANCH  23  28
ATOM     28  O   LIG    1       -7.257   1.237   0.879  0.00  0.00    -0.503 OA
ATOM     29  H   LIG    1       -7.473   1.071   1.809  0.00  0.00    +0.292 HD
ENDBRANCH  23  28
ENDBRANCH  19  20
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 10