REMARK  Name = BDB053886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.928  -0.634  -0.687  0.00  0.00    +0.125 C 
ATOM      2  C   LIG    1       -2.437  -0.385  -0.431  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -2.765   0.935   0.203  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1       -3.429   0.714   1.405  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -3.849   1.766   2.205  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -3.591   3.062   1.765  0.00  0.00    +0.159 A 
ATOM      7  C   LIG    1       -2.931   3.288   0.555  0.00  0.00    +0.159 A 
ATOM      8  F   LIG    1       -2.699   4.543   0.142  0.00  0.00    -0.202 F 
ATOM      9  F   LIG    1       -3.988   4.099   2.516  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1       -3.566  -0.744   1.643  0.00  0.00    +0.196 C 
ATOM     11  C   LIG    1       -2.513   2.225  -0.242  0.00  0.00    +0.048 A 
ATOM     12  O   LIG    1       -2.998  -1.378   0.475  0.00  0.00    -0.363 OA
ATOM     13  C   LIG    1       -3.209  -0.531  -1.760  0.00  0.00    +0.056 C 
ATOM     14  C   LIG    1       -2.919  -1.872  -2.430  0.00  0.00    +0.084 C 
ATOM     15  N   LIG    1       -1.485  -2.069  -2.649  0.00  0.00    -0.315 NA
ATOM     16  H   LIG    1       -1.139  -1.359  -3.294  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -0.759  -1.998  -1.375  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1  19
ATOM     18  O   LIG    1       -0.528  -0.571   1.699  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -0.041  -0.590   0.566  0.00  0.00    +0.224 C 
ATOM     20  N   LIG    1        1.351  -0.617   0.401  0.00  0.00    -0.294 N 
BRANCH  20  21
ATOM     21  C   LIG    1        2.167  -0.809   1.589  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1        2.024  -2.050   2.437  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        3.275  -1.832   1.648  0.00  0.00    +0.024 C 
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1        2.071  -0.342  -0.854  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.105   0.760  -0.746  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1        2.759   2.119  -0.661  0.00  0.00    +0.046 A 
ATOM     27 CL   LIG    1        1.119   2.648  -0.714  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        3.749   3.101  -0.545  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        5.097   2.743  -0.513  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1        5.453   1.401  -0.601  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1        7.112   0.951  -0.563  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1        4.471   0.417  -0.719  0.00  0.00    +0.026 A 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH   1  19
TORSDOF 4