REMARK  Name = BDB045957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.364  -0.403  -0.181  0.00  0.00    +0.230 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.419   0.447  -1.018  0.00  0.00    -0.492 OA
BRANCH   2   6
ATOM      3  C   LIG    1        4.553  -0.063  -1.358  0.00  0.00    -0.044 A 
ATOM      4  C   LIG    1        3.834  -0.926  -0.521  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        2.448  -0.792  -0.377  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.764   0.206  -1.069  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        2.478   1.066  -1.906  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        3.861   0.935  -2.053  0.00  0.00    +0.007 A 
BRANCH   3   9
ATOM      9  C   LIG    1        6.049  -0.201  -1.500  0.00  0.00    +0.078 C 
BRANCH   9  10
ATOM     10  C   LIG    1        6.848   0.313  -0.294  0.00  0.00    +0.230 C 
BRANCH  10  11
ATOM     11  C   LIG    1        6.761   1.842  -0.255  0.00  0.00    +0.334 C 
ATOM     12  O   LIG    1        7.467   2.638  -0.854  0.00  0.00    -0.248 OA
BRANCH  11  13
ATOM     13  O   LIG    1        5.785   2.289   0.564  0.00  0.00    -0.479 OA
ATOM     14  H   LIG    1        5.821   3.264   0.470  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH  10  11
BRANCH  10  15
ATOM     15  O   LIG    1        8.190  -0.168  -0.457  0.00  0.00    -0.365 OA
BRANCH  15  17
ATOM     16  C   LIG    1       10.376  -0.529   0.424  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1        9.000   0.047   0.696  0.00  0.00    +0.157 C 
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.818   0.048  -0.280  0.00  0.00    +0.060 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.721  -0.813   0.611  0.00  0.00    +0.114 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.153  -0.490   0.433  0.00  0.00    -0.300 N 
ATOM     21  C   LIG    1       -5.083  -1.561   0.451  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1       -6.326  -1.508  -0.224  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1       -7.218  -2.603  -0.129  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -6.904  -3.742   0.605  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.694  -3.804   1.273  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -6.828  -0.348  -1.064  0.00  0.00    +0.042 C 
ATOM     27  C   LIG    1       -5.836   0.731  -1.486  0.00  0.00    +0.042 C 
ATOM     28  C   LIG    1       -5.350   1.504  -0.292  0.00  0.00    -0.026 A 
ATOM     29  C   LIG    1       -5.711   2.848  -0.111  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -5.257   3.556   0.999  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.445   2.925   1.936  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -4.082   1.588   1.758  0.00  0.00    +0.024 A 
ATOM     33  C   LIG    1       -4.806  -2.728   1.200  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1       -4.523   0.859   0.642  0.00  0.00    +0.037 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11