REMARK  Name = BDB059070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.136   1.848   1.420  0.00  0.00    +0.044 A 
ATOM      2  N   LIG    1       -2.126   0.723   0.685  0.00  0.00    -0.232 NA
ATOM      3  C   LIG    1       -0.904   0.260   0.336  0.00  0.00    +0.165 A 
ATOM      4  C   LIG    1        0.324   0.844   0.656  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        1.289  -0.032   0.070  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1        0.707  -1.075  -0.533  0.00  0.00    -0.168 NA
ATOM      7  C   LIG    1        0.271   2.026   1.431  0.00  0.00    +0.073 A 
ATOM      8  N   LIG    1       -0.630  -0.889  -0.400  0.00  0.00    -0.214 N 
ATOM      9  C   LIG    1       -0.989   2.522   1.803  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -1.527  -1.839  -0.985  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1       -0.993  -2.942  -1.680  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.836  -3.890  -2.266  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -3.212  -3.740  -2.162  0.00  0.00    +0.124 A 
ATOM     14  F   LIG    1       -4.021  -4.647  -2.723  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -3.760  -2.659  -1.482  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1       -2.920  -1.707  -0.893  0.00  0.00    +0.030 A 
ENDBRANCH   8  10
BRANCH   1  18
ATOM     17  C   LIG    1       -4.009   3.376   0.765  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -3.493   2.389   1.800  0.00  0.00    +0.052 C 
ENDBRANCH   1  18
BRANCH   7  19
ATOM     19  C   LIG    1        1.478   2.768   1.849  0.00  0.00    +0.338 C 
ATOM     20  O   LIG    1        2.571   2.773   1.322  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        1.254   3.502   2.956  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        2.119   3.929   3.135  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH   7  19
BRANCH   5  23
ATOM     23  C   LIG    1        2.803   0.035   0.079  0.00  0.00    +0.040 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.377  -0.422   1.441  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1        3.197  -1.903   1.754  0.00  0.00    +0.004 C 
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1        3.486  -0.713  -1.093  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        3.229  -0.058  -2.447  0.00  0.00    +0.004 C 
ENDBRANCH  23  26
ENDBRANCH   5  23
TORSDOF 7