REMARK  Name = BDB024039
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.932  -0.259   0.878  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1       -0.896  -1.224   1.903  0.00  0.00    +0.132 A 
ATOM      3  F   LIG    1       -1.868  -2.162   2.016  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.147  -1.224   2.832  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.172  -0.281   2.743  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.170   0.670   1.712  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.105   0.687   0.797  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1   8
ATOM      8  P   LIG    1       -2.261  -0.260  -0.368  0.00  0.00    -0.017 P 
ATOM      9  C   LIG    1       -3.461  -1.687  -0.490  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1       -2.855  -3.000  -0.999  0.00  0.00    +0.087 C 
ATOM     11  N   LIG    1       -2.441  -2.915  -2.408  0.00  0.00    -0.315 NA
ATOM     12  H   LIG    1       -1.794  -3.717  -2.595  0.00  0.00    +0.122 HD
ATOM     13  C   LIG    1       -1.748  -1.663  -2.756  0.00  0.00    +0.087 C 
ATOM     14  C   LIG    1       -1.045  -1.016  -1.557  0.00  0.00    +0.067 C 
BRANCH   8  15
ATOM     15  O   LIG    1       -2.494   1.031  -1.450  0.00  0.00    -0.379 OA
ATOM     16  H   LIG    1       -1.725   1.641  -1.328  0.00  0.00    +0.214 HD
ENDBRANCH   8  15
BRANCH   8  17
ATOM     17  C   LIG    1       -3.422   0.542   0.854  0.00  0.00    +0.051 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -4.048   2.546   2.260  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -3.051   1.986   1.249  0.00  0.00    +0.003 C 
ENDBRANCH  17  19
ENDBRANCH   8  17
ENDBRANCH   1   8
BRANCH   6  20
ATOM     20  C   LIG    1        2.281   1.686   1.609  0.00  0.00    +0.093 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.886   1.707   0.224  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1        3.669   0.650  -0.296  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1        4.141   0.750  -1.628  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        4.911  -0.293  -2.176  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        5.217  -1.420  -1.412  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        4.764  -1.518  -0.097  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        3.826   1.896  -2.377  0.00  0.00    +0.272 A 
ATOM     28  O   LIG    1        4.228   2.024  -3.566  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1        3.080   2.881  -1.813  0.00  0.00    -0.242 N 
ATOM     30  H   LIG    1        2.847   3.736  -2.367  0.00  0.00    +0.192 HD
ATOM     31  C   LIG    1        3.998  -0.493   0.462  0.00  0.00    +0.010 A 
ATOM     32  N   LIG    1        2.628   2.784  -0.564  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 6