REMARK  Name = BDB051775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.530   2.386  -0.790  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -1.141   2.282  -0.953  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.276   3.094  -0.210  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.792   4.070   0.633  0.00  0.00    +0.135 A 
ATOM      5  F   LIG    1        0.014   4.853   1.364  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1       -2.170   4.222   0.763  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1       -3.038   3.382   0.057  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.181   2.912  -0.338  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1        1.714   1.663  -0.012  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        3.123   1.406  -0.303  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        3.343  -0.054  -0.693  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1        2.862  -1.047   0.408  0.00  0.00    -0.013 C 
ATOM     13  C   LIG    1        4.044  -1.702   1.132  0.00  0.00    +0.088 C 
ATOM     14  N   LIG    1        4.547  -2.672   0.161  0.00  0.00    -0.315 NA
ATOM     15  H   LIG    1        5.087  -3.405   0.619  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        3.382  -3.231  -0.527  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1        2.218  -2.288  -0.235  0.00  0.00    +0.023 C 
ATOM     18  C   LIG    1        1.920  -0.357   1.411  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1        0.982   0.621   0.713  0.00  0.00    +0.108 C 
ATOM     20  O   LIG    1        1.845   3.850  -0.769  0.00  0.00    -0.270 OA
ENDBRANCH   3   8
BRANCH   1  21
ATOM     21  C   LIG    1       -3.457   1.441  -1.524  0.00  0.00    +0.092 C 
BRANCH  21  31
ATOM     22  C   LIG    1       -4.062  -0.102   0.975  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1       -3.208  -0.739  -0.079  0.00  0.00    -0.019 A 
ATOM     24  C   LIG    1       -2.594  -1.933   0.042  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -2.577  -2.806   1.263  0.00  0.00    +0.050 C 
ATOM     26  C   LIG    1       -1.851  -2.501  -1.120  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -1.241  -3.562  -1.041  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -1.904  -1.782  -2.282  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -1.400  -2.156  -3.080  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -2.420  -0.536  -2.419  0.00  0.00    -0.175 NA
ATOM     31  C   LIG    1       -3.015  -0.020  -1.386  0.00  0.00    +0.069 A 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 3