REMARK  Name = BDB060969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.778   0.488  -2.740  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        1.519   0.066  -1.330  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1        0.162  -0.031  -0.769  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1       -0.959   0.257  -1.454  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1        0.305  -0.487   0.625  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1        1.690  -0.631   0.837  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1        2.184  -1.054   2.063  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.270  -1.333   3.075  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1       -0.105  -1.196   2.876  0.00  0.00    +0.039 A 
ATOM     10  F   LIG    1        1.719  -1.746   4.268  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -0.599  -0.770   1.639  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        2.426  -0.278  -0.390  0.00  0.00    -0.025 C 
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1       -2.335   0.188  -0.959  0.00  0.00    -0.021 A 
ATOM     14  C   LIG    1       -2.909   1.292  -0.319  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -4.218   1.208   0.148  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -4.962   0.045  -0.017  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1       -4.393  -1.054  -0.659  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -3.081  -0.984  -1.131  0.00  0.00    +0.008 A 
BRANCH  15  19
ATOM     19  O   LIG    1       -4.814   2.256   0.784  0.00  0.00    -0.507 OA
ATOM     20  H   LIG    1       -4.184   2.994   0.831  0.00  0.00    +0.292 HD
ENDBRANCH  15  19
ENDBRANCH   4  13
BRANCH  12  21
ATOM     21  C   LIG    1        3.916  -0.342  -0.476  0.00  0.00    +0.156 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.617   0.724   0.349  0.00  0.00    +0.309 C 
ATOM     23  O   LIG    1        5.631   0.506   0.998  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1        4.073   1.960   0.271  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1        3.253   1.999  -0.258  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  12  21
TORSDOF 5