REMARK  Name = BDB017154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.994   0.078   0.796  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        3.731  -0.045  -0.424  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1        3.085  -0.570  -1.575  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.795  -0.725  -2.778  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        5.135  -0.359  -2.875  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        5.781   0.174  -1.770  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.732  -0.931  -1.521  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.002  -0.762  -0.347  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        5.089   0.329  -0.566  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        1.631  -0.275   0.801  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        2.942   0.302   3.385  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1        3.658   0.591   2.066  0.00  0.00    +0.142 C 
BRANCH  12  13
ATOM     13  O   LIG    1        3.813   2.003   1.936  0.00  0.00    -0.387 OA
ATOM     14  H   LIG    1        4.247   2.324   2.744  0.00  0.00    +0.210 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  15
ATOM     15  C   LIG    1       -0.438  -1.125  -0.260  0.00  0.00    +0.167 C 
ATOM     16  O   LIG    1       -0.814  -1.678   0.772  0.00  0.00    -0.292 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -1.359  -0.865  -1.459  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -2.834  -1.222  -1.163  0.00  0.00    +0.096 C 
ATOM     19  N   LIG    1       -3.687  -0.208  -0.503  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -3.520   1.105  -1.145  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -2.069   1.560  -1.273  0.00  0.00    +0.016 C 
ATOM     22  C   LIG    1       -1.247   0.544  -2.053  0.00  0.00    +0.014 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.442  -0.127   0.956  0.00  0.00    +0.057 C 
ATOM     24  C   LIG    1       -3.939  -1.413   1.681  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -5.324  -0.762   1.822  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -4.630   0.600   1.656  0.00  0.00    +0.019 C 
ENDBRANCH  19  23
ENDBRANCH  15  17
ENDBRANCH   8  15
TORSDOF 5