REMARK  Name = BDB053885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.181  -1.175  -0.469  0.00  0.00    +0.125 C 
ATOM      2  C   LIG    1       -1.512  -0.199   0.682  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -2.441   0.932   0.296  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1       -1.907   2.139   0.754  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -2.553   3.352   0.562  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -3.764   3.342  -0.119  0.00  0.00    +0.159 A 
ATOM      7  C   LIG    1       -4.310   2.144  -0.582  0.00  0.00    +0.159 A 
ATOM      8  F   LIG    1       -5.483   2.150  -1.232  0.00  0.00    -0.202 F 
ATOM      9  F   LIG    1       -4.410   4.498  -0.325  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1       -0.633   1.881   1.461  0.00  0.00    +0.196 C 
ATOM     11  C   LIG    1       -3.657   0.928  -0.376  0.00  0.00    +0.048 A 
ATOM     12  O   LIG    1       -0.307   0.543   1.048  0.00  0.00    -0.363 OA
ATOM     13  C   LIG    1       -2.007  -0.940   1.935  0.00  0.00    +0.056 C 
ATOM     14  C   LIG    1       -3.103  -1.950   1.616  0.00  0.00    +0.084 C 
ATOM     15  N   LIG    1       -2.681  -2.913   0.603  0.00  0.00    -0.315 NA
ATOM     16  H   LIG    1       -1.868  -3.431   0.963  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -2.260  -2.259  -0.639  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1  19
ATOM     18  O   LIG    1        0.244  -2.907   0.402  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        0.178  -1.856  -0.244  0.00  0.00    +0.224 C 
ATOM     20  N   LIG    1        1.321  -1.242  -0.763  0.00  0.00    -0.294 N 
BRANCH  20  21
ATOM     21  C   LIG    1        1.291  -0.107  -1.659  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1        0.716  -0.220  -3.052  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        2.183  -0.011  -2.876  0.00  0.00    +0.024 C 
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1        2.631  -1.715  -0.298  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.403  -0.668   0.483  0.00  0.00    -0.012 A 
ATOM     26  C   LIG    1        3.177  -0.411   1.846  0.00  0.00    +0.047 A 
ATOM     27 CL   LIG    1        2.044  -1.316   2.783  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        3.891   0.590   2.514  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        4.841   1.340   1.828  0.00  0.00    +0.042 A 
ATOM     30 CL   LIG    1        5.714   2.573   2.650  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        5.092   1.096   0.483  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        4.379   0.097  -0.184  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH   1  19
TORSDOF 4