REMARK  Name = BDB016438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.509  -0.002   1.589  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        0.138   0.141   1.193  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -0.760  -0.934   1.269  0.00  0.00    +0.077 A 
ATOM      4  N   LIG    1       -2.041  -0.856   0.886  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -2.482   0.316   0.408  0.00  0.00    +0.161 A 
ATOM      6  N   LIG    1       -1.739   1.428   0.318  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -0.310  -2.139   1.776  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.996  -2.293   2.231  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.453   1.309   0.712  0.00  0.00    +0.125 A 
ATOM     10  C   LIG    1        1.889  -1.226   2.154  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -3.896   0.399   0.002  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -4.574  -0.650  -0.666  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -5.945  -0.505  -0.976  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -6.638   0.662  -0.661  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.975   1.706  -0.030  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.624   1.574   0.295  0.00  0.00    +0.012 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -3.877  -1.931  -1.077  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -4.589  -2.626  -2.019  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -3.707  -2.813  -0.054  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -2.656  -1.738  -1.650  0.00  0.00    -0.166 F 
ENDBRANCH  12  17
ENDBRANCH   5  11
BRANCH   1  21
ATOM     21  N   LIG    1        2.381   1.100   1.538  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1        2.124   1.750   0.800  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.834   0.954   1.576  0.00  0.00    +0.137 C 
BRANCH  23  28
ATOM     24  F   LIG    1        5.812   0.102  -3.642  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        5.346   0.302  -2.402  0.00  0.00    +0.123 A 
ATOM     26  C   LIG    1        5.044  -0.790  -1.599  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        4.560  -0.582  -0.306  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        4.381   0.720   0.186  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        4.686   1.811  -0.647  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        5.171   1.600  -1.939  0.00  0.00    +0.038 A 
ENDBRANCH  23  28
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5