REMARK  Name = BDB054807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.293   0.822  -0.060  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.503   2.163  -0.362  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        2.466   2.868   0.249  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.710   2.801  -1.310  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.315   2.096  -1.946  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.566   0.751  -1.626  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.257   0.115  -0.683  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        1.503  -0.317   1.938  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.100   0.141   0.966  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        3.470   0.020   0.784  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1        4.197   0.352  -0.449  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1        5.436  -0.541  -0.639  0.00  0.00    +0.100 C 
ATOM     13  N   LIG    1        6.398  -0.501   0.475  0.00  0.00    -0.313 NA
ATOM     14  H   LIG    1        6.871  -1.403   0.531  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        5.750  -0.201   1.764  0.00  0.00    +0.100 C 
ATOM     16  C   LIG    1        4.263  -0.585   1.853  0.00  0.00    +0.123 C 
ENDBRANCH   1   9
BRANCH   6  17
ATOM     17  C   LIG    1       -1.679   0.009  -2.337  0.00  0.00    +0.094 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.451  -0.966  -1.460  0.00  0.00    +0.087 A 
ATOM     19  C   LIG    1       -3.437  -0.424  -0.460  0.00  0.00    +0.059 A 
ATOM     20  N   LIG    1       -3.606   0.944  -0.268  0.00  0.00    -0.342 N 
ATOM     21  H   LIG    1       -2.765   1.487  -0.457  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1       -4.340   1.428   0.899  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1       -5.567   0.550   1.126  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1       -5.174  -0.928   1.247  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -4.140  -1.334   0.233  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1       -3.898  -2.780   0.033  0.00  0.00    +0.270 A 
ATOM     27  O   LIG    1       -4.524  -3.632   0.655  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -2.928  -3.107  -0.877  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -2.748  -4.095  -1.027  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -2.215  -2.233  -1.639  0.00  0.00    -0.174 NA
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 3