REMARK  Name = BDB009164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.687  -0.492   0.515  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        2.413   0.589   1.040  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1        3.701   0.775   0.712  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1        1.854   1.444   1.988  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1        0.548   1.236   2.425  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.209   0.171   1.914  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        0.378  -0.698   0.976  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        2.929   0.375  -1.844  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        2.985  -0.813  -1.526  0.00  0.00    +0.220 C 
ATOM     10  N   LIG    1        2.265  -1.364  -0.465  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1        2.094  -2.810  -0.300  0.00  0.00    +0.114 C 
ATOM     12  C   LIG    1        3.362  -3.486   0.219  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1        4.401  -3.743  -0.865  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1        4.899  -2.479  -1.555  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1        3.821  -1.765  -2.363  0.00  0.00    +0.096 C 
ENDBRANCH   1  10
BRANCH   6  16
ATOM     16  C   LIG    1       -1.632  -0.046   2.375  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.531   1.169   2.164  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -3.014   1.508   0.787  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -2.622   0.683  -0.404  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -3.534   0.910  -1.613  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -3.759   2.398  -1.856  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.385   3.067  -0.629  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.821   2.579   0.677  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -4.192   3.359   1.885  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -4.954   4.317   1.824  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -3.628   2.947   3.063  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -3.870   3.468   3.900  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -2.825   1.862   3.225  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   6  16
TORSDOF 3