REMARK  Name = BDB048505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.056   1.929   2.068  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -0.048   0.990   1.274  0.00  0.00    +0.185 C 
ATOM      3  C   LIG    1       -1.329   0.370   0.793  0.00  0.00    +0.000 C 
ATOM      4  C   LIG    1       -2.461   0.835   1.361  0.00  0.00    +0.015 C 
ATOM      5  C   LIG    1       -1.278  -0.724  -0.235  0.00  0.00    +0.039 C 
ATOM      6  C   LIG    1       -0.014  -1.560  -0.121  0.00  0.00    +0.009 C 
ATOM      7  C   LIG    1        1.209  -0.670  -0.271  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1        1.245   0.421   0.760  0.00  0.00    +0.000 C 
ATOM      9  C   LIG    1        2.372   0.928   1.302  0.00  0.00    +0.015 C 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -3.819   0.385   1.042  0.00  0.00    -0.024 A 
ATOM     11  C   LIG    1       -4.364   0.574  -0.234  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -5.670   0.145  -0.524  0.00  0.00    +0.101 A 
ATOM     13  C   LIG    1       -6.429  -0.466   0.480  0.00  0.00    +0.131 A 
ATOM     14  C   LIG    1       -5.896  -0.643   1.759  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -4.596  -0.214   2.038  0.00  0.00    +0.011 A 
BRANCH  12  16
ATOM     16  C   LIG    1       -6.231   0.371  -1.879  0.00  0.00    +0.340 C 
ATOM     17  O   LIG    1       -7.394   0.532  -2.196  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -5.261   0.385  -2.818  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -5.763   0.522  -3.649  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  12  16
BRANCH  13  20
ATOM     20  O   LIG    1       -7.689  -0.922   0.220  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1       -8.114  -1.213   1.043  0.00  0.00    +0.292 HD
ENDBRANCH  13  20
ENDBRANCH   4  10
BRANCH   9  22
ATOM     22  C   LIG    1        3.738   0.531   0.947  0.00  0.00    -0.024 A 
ATOM     23  C   LIG    1        4.249   0.761  -0.337  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        5.563   0.387  -0.661  0.00  0.00    +0.101 A 
ATOM     25  C   LIG    1        6.364  -0.211   0.320  0.00  0.00    +0.131 A 
ATOM     26  C   LIG    1        5.863  -0.432   1.602  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        4.555  -0.058   1.917  0.00  0.00    +0.011 A 
BRANCH  24  28
ATOM     28  C   LIG    1        6.016   0.654  -2.047  0.00  0.00    +0.340 C 
ATOM     29  O   LIG    1        5.346   1.136  -2.941  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        7.301   0.303  -2.259  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        7.442   0.548  -3.202  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
BRANCH  25  32
ATOM     32  O   LIG    1        7.654  -0.612   0.109  0.00  0.00    -0.506 OA
ATOM     33  H   LIG    1        7.888  -0.381  -0.815  0.00  0.00    +0.292 HD
ENDBRANCH  25  32
ENDBRANCH   9  22
TORSDOF 8