REMARK  Name = BDB042617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.052  -1.853  -0.733  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1        4.967   0.581   0.378  0.00  0.00    +0.218 C 
ATOM      3  N   LIG    1        3.644   0.161   0.321  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1        3.084  -0.505   1.505  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        1.565  -0.339   1.629  0.00  0.00    +0.126 C 
ATOM      6  N   LIG    1        0.853  -0.762   0.417  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1       -0.398  -1.350   0.548  0.00  0.00    +0.216 C 
ATOM      8  O   LIG    1       -0.939  -1.485   1.646  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1        1.560  -0.574  -0.854  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1        2.704   0.448  -0.768  0.00  0.00    +0.126 C 
ATOM     11  O   LIG    1        5.670   0.351   1.365  0.00  0.00    -0.275 OA
BRANCH   2  13
ATOM     12  C   LIG    1        6.018   0.266  -1.870  0.00  0.00    +0.017 C 
ATOM     13  C   LIG    1        5.551   1.296  -0.842  0.00  0.00    +0.069 C 
ATOM     14  C   LIG    1        6.722   2.191  -0.434  0.00  0.00    +0.017 C 
ENDBRANCH   2  13
ENDBRANCH   1   7
BRANCH   1  15
ATOM     15  C   LIG    1       -2.437  -2.464  -0.500  0.00  0.00    +0.062 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.518  -1.420  -0.347  0.00  0.00    +0.020 A 
ATOM     17  N   LIG    1       -3.968  -0.811  -1.495  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1       -3.585  -1.071  -2.396  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1       -4.947   0.161  -1.550  0.00  0.00    +0.259 A 
ATOM     20  O   LIG    1       -5.276   0.650  -2.623  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1       -5.550   0.557  -0.256  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1       -5.098  -0.071   0.916  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1       -5.652   0.290   2.151  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -6.650   1.266   2.216  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -7.095   1.885   1.049  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -6.545   1.530  -0.181  0.00  0.00    +0.136 A 
ATOM     27  F   LIG    1       -7.003   2.152  -1.276  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -4.051  -1.092   0.840  0.00  0.00    +0.030 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4