REMARK  Name = BDB057828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.337   0.759  -0.039  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.091   2.051  -0.397  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -1.459   2.298  -0.233  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.958   3.548  -0.579  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.133   4.562  -1.074  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.227   4.330  -1.226  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -2.306   1.385   0.246  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1       -1.800   0.191   0.575  0.00  0.00    +0.163 A 
ATOM      9  C   LIG    1        0.749   3.083  -0.889  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.508  -0.156   0.465  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.725  -0.807   1.136  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -4.037  -1.012   0.641  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -4.875  -1.960   1.268  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -4.428  -2.716   2.349  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.137  -2.541   2.825  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -2.299  -1.599   2.225  0.00  0.00    +0.012 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -4.573  -0.254  -0.556  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -5.675  -0.861  -1.099  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -4.983   1.010  -0.262  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -3.692  -0.161  -1.591  0.00  0.00    -0.166 F 
ENDBRANCH  12  17
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  N   LIG    1        1.699   0.418  -0.179  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1        1.996   0.626  -1.129  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.026  -0.958   0.177  0.00  0.00    +0.138 C 
BRANCH  23  28
ATOM     24  F   LIG    1        7.534  -1.764  -0.758  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        6.226  -1.575  -0.536  0.00  0.00    +0.123 A 
ATOM     26  C   LIG    1        5.295  -2.192  -1.364  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        3.932  -1.996  -1.135  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        3.501  -1.185  -0.073  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        4.459  -0.568   0.748  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        5.821  -0.764   0.517  0.00  0.00    +0.038 A 
ENDBRANCH  23  28
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 5