REMARK  Name = BDB005980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.055  -1.788  -2.054  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        3.820  -1.656  -1.430  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        2.664  -0.773  -1.684  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1        1.662  -1.116  -0.787  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1        2.108  -2.099   0.179  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1        2.609   0.110  -2.519  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        3.476  -2.437  -0.312  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        4.350  -3.372   0.220  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        5.594  -3.521  -0.385  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.939  -2.741  -1.502  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.448  -0.318  -0.613  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1        0.682   0.860   0.337  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1       -0.598   1.675   0.524  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1       -1.703   0.822   0.995  0.00  0.00    -0.299 NA
ATOM     15  C   LIG    1       -1.982  -0.250   0.029  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -0.753  -1.143  -0.148  0.00  0.00    +0.038 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -2.882   1.623   1.383  0.00  0.00    +0.057 C 
ATOM     18  C   LIG    1       -3.767   2.123   0.229  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -4.879   3.063   0.711  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1       -5.246   2.867   2.175  0.00  0.00    +0.249 C 
ATOM     21  F   LIG    1       -6.502   3.326   2.390  0.00  0.00    -0.206 F 
ATOM     22  F   LIG    1       -4.425   3.626   2.947  0.00  0.00    -0.206 F 
ATOM     23  C   LIG    1       -5.139   1.422   2.619  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -3.728   0.855   2.428  0.00  0.00    +0.024 C 
ENDBRANCH  14  17
ENDBRANCH   4  11
BRANCH   1  28
ATOM     25  N   LIG    1        4.730  -0.225  -3.942  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        5.137   0.325  -4.686  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        3.811   0.063  -3.609  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1        5.560  -1.044  -3.244  0.00  0.00    +0.242 C 
ATOM     29  O   LIG    1        6.724  -1.173  -3.614  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 3