REMARK  Name = BDB051105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.873  -1.106   0.025  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.988  -2.490  -0.071  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.971  -3.058  -0.784  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.070  -3.318   0.567  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        0.986  -2.760   1.292  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.144  -1.367   1.368  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.196  -0.544   0.738  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -1.372   0.725  -1.320  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -1.822  -0.203  -0.654  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1       -3.163  -0.435  -0.479  0.00  0.00    -0.289 N 
ATOM     11  C   LIG    1       -4.254   0.452  -0.776  0.00  0.00    +0.064 C 
ATOM     12  C   LIG    1       -4.734   0.770  -2.171  0.00  0.00    +0.108 C 
ATOM     13  N   LIG    1       -5.185   2.100  -1.664  0.00  0.00    -0.312 NA
ATOM     14  H   LIG    1       -6.170   2.118  -1.399  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -4.263   1.940  -0.501  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1       -5.154  -0.409   0.087  0.00  0.00    +0.047 C 
ATOM     17  C   LIG    1       -3.875  -1.080   0.621  0.00  0.00    +0.111 C 
ENDBRANCH   1   9
BRANCH   6  18
ATOM     18  C   LIG    1        2.286  -0.785   2.173  0.00  0.00    +0.093 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.921   0.456   1.561  0.00  0.00    +0.074 A 
ATOM     20  C   LIG    1        3.815   0.331   0.381  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        4.360   1.508  -0.130  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        5.211   1.477  -1.242  0.00  0.00    +0.014 A 
ATOM     23  C   LIG    1        5.517   0.259  -1.846  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.975  -0.922  -1.340  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.034   2.790   0.514  0.00  0.00    +0.272 A 
ATOM     26  O   LIG    1        4.502   3.848   0.109  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1        3.187   2.726   1.593  0.00  0.00    -0.242 N 
ATOM     28  H   LIG    1        2.945   3.602   2.045  0.00  0.00    +0.192 HD
ATOM     29  C   LIG    1        4.126  -0.890  -0.229  0.00  0.00    +0.010 A 
ATOM     30  N   LIG    1        2.638   1.598   2.117  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 3