REMARK  Name = BDB051096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.725  -1.959   0.256  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.619  -2.509   1.530  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.172  -3.565   1.765  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.344  -1.972   2.589  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.190  -0.882   2.372  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.323  -0.328   1.089  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.593  -0.884   0.028  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.611  -2.878  -1.873  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.024  -2.511  -0.887  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.405  -2.532  -0.833  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        2.265  -1.938   0.186  0.00  0.00    +0.116 C 
ATOM     12  C   LIG    1        3.635  -1.814  -0.497  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1        3.790  -0.444  -1.169  0.00  0.00    +0.116 C 
ATOM     14  N   LIG    1        4.394   0.392  -0.143  0.00  0.00    -0.301 N 
ATOM     15  C   LIG    1        4.417   1.763  -0.260  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        3.950   2.371  -1.216  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        4.889  -0.395   0.973  0.00  0.00    +0.108 C 
ATOM     18  C   LIG    1        4.811  -1.834   0.482  0.00  0.00    +0.029 C 
ATOM     19  C   LIG    1        3.618  -2.984  -1.484  0.00  0.00    +0.029 C 
ATOM     20  C   LIG    1        2.175  -3.014  -1.965  0.00  0.00    +0.109 C 
BRANCH  15  21
ATOM     21  C   LIG    1        5.036   2.511   0.869  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1        6.540   2.643   0.959  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        5.710   3.842   0.618  0.00  0.00    +0.013 C 
ENDBRANCH  15  21
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1       -3.263   0.832   0.846  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.732   0.458   0.664  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -5.687   1.528   0.272  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -7.022   1.166   0.103  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -7.979   2.119  -0.268  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -7.596   3.444  -0.468  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.263   3.815  -0.295  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.420  -0.232   0.327  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1       -8.583  -0.596   0.188  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -6.418  -1.090   0.704  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -6.668  -2.063   0.854  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -5.308   2.863   0.075  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1       -5.108  -0.770   0.871  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 4