REMARK  Name = BDB009161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.831   0.382  -0.836  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1        1.714   1.318  -1.873  0.00  0.00    +0.145 A 
ATOM      3  F   LIG    1        2.649   2.261  -2.059  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1        0.689   1.244  -2.815  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -0.247   0.216  -2.746  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.162  -0.745  -1.733  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        0.891  -0.663  -0.800  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.873   1.351   0.392  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1        4.673   1.356   1.345  0.00  0.00    +0.051 C 
ATOM     10  C   LIG    1        3.417   1.668   0.556  0.00  0.00    +0.232 C 
ATOM     11  O   LIG    1        2.972   2.798   0.415  0.00  0.00    -0.274 OA
ATOM     12  N   LIG    1        2.880   0.473   0.123  0.00  0.00    -0.207 N 
ATOM     13  C   LIG    1        3.367  -0.577   0.866  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1        3.072  -1.764   0.810  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.364  -0.046   1.859  0.00  0.00    +0.112 C 
ATOM     16  C   LIG    1        4.895   2.347   2.484  0.00  0.00    +0.021 C 
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  C   LIG    1       -1.149  -1.891  -1.664  0.00  0.00    +0.092 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.609  -1.446  -1.696  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1       -3.285  -1.032  -0.426  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -2.539  -1.020   0.878  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -3.284  -0.290   2.001  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.765  -0.646   2.004  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.416  -0.286   0.667  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -4.579  -0.681  -0.518  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -5.260  -0.682  -1.837  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -6.434  -0.350  -1.960  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -4.497  -1.072  -2.904  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -4.945  -1.083  -3.814  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -3.195  -1.458  -2.857  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 3