REMARK  Name = BDB042495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.077  -0.391  -1.139  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.333  -0.091  -0.872  0.00  0.00    -0.298 NA
ATOM      3  C   LIG    1       -1.276  -0.984  -1.548  0.00  0.00    +0.089 C 
ATOM      4  C   LIG    1       -2.703  -0.411  -1.471  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -3.069   0.035  -0.074  0.00  0.00    -0.042 C 
ATOM      6  C   LIG    1       -2.101   0.227   0.843  0.00  0.00    -0.008 C 
ATOM      7  C   LIG    1       -0.637   0.023   0.559  0.00  0.00    +0.112 C 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.495   0.260   0.241  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1       -5.052  -0.209   1.440  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -6.406  -0.011   1.729  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -7.237   0.666   0.826  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -6.687   1.124  -0.379  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -5.332   0.922  -0.666  0.00  0.00    +0.009 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -8.702   0.862   1.127  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1       -9.466  -0.169   0.670  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -8.967   0.962   2.459  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -9.219   1.989   0.561  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.560  -1.806  -0.779  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.039  -2.030  -1.127  0.00  0.00    +0.054 C 
BRANCH  19  28
ATOM     20  O   LIG    1        4.928  -1.064   3.085  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1        4.910  -0.759   1.899  0.00  0.00    +0.259 A 
ATOM     22  C   LIG    1        5.738   0.328   1.326  0.00  0.00    +0.082 A 
ATOM     23  C   LIG    1        5.642   0.591  -0.051  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1        6.416   1.615  -0.613  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        7.277   2.368   0.190  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        7.367   2.101   1.556  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        4.736  -0.202  -0.886  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        3.992  -1.173  -0.332  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        6.599   1.084   2.119  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1        6.718   0.864   3.436  0.00  0.00    -0.205 F 
ATOM     31  N   LIG    1        4.094  -1.434   1.014  0.00  0.00    -0.326 N 
ATOM     32  H   LIG    1        3.546  -2.178   1.432  0.00  0.00    +0.169 HD
ENDBRANCH  19  28
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6