REMARK  Name = BDB059062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.121   1.894   0.321  0.00  0.00    +0.076 A 
ATOM      2  C   LIG    1       -0.798   0.920  -0.150  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -0.066  -0.260  -0.217  0.00  0.00    +0.165 A 
ATOM      4  N   LIG    1       -0.544  -1.466  -0.598  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -1.842  -1.517  -0.962  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.664  -0.395  -0.942  0.00  0.00    +0.039 A 
ATOM      7  N   LIG    1        1.232   0.054   0.181  0.00  0.00    -0.214 N 
ATOM      8  C   LIG    1       -2.148   0.835  -0.522  0.00  0.00    +0.073 A 
ATOM      9  N   LIG    1        1.337   1.370   0.514  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        2.384  -0.788   0.280  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1        3.599  -0.234   0.725  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        4.747  -1.025   0.837  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        4.690  -2.374   0.504  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1        6.100  -3.351   0.639  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1        3.497  -2.938   0.060  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        2.345  -2.149  -0.052  0.00  0.00    +0.029 A 
ENDBRANCH   7  10
BRANCH   1  18
ATOM     17  C   LIG    1        0.555   3.813   1.911  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -0.105   3.358   0.604  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1        0.375   4.225  -0.561  0.00  0.00    +0.014 C 
ENDBRANCH   1  18
BRANCH   5  20
ATOM     20  C   LIG    1       -2.392  -2.847  -1.427  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -3.470  -3.547  -0.630  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1       -2.079  -4.106  -0.651  0.00  0.00    +0.010 C 
ENDBRANCH   5  20
BRANCH   8  23
ATOM     23  C   LIG    1       -3.018   2.015  -0.535  0.00  0.00    +0.338 C 
ATOM     24  O   LIG    1       -2.773   3.022  -1.171  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.112   1.847   0.235  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1       -4.123   1.032   0.773  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH   8  23
TORSDOF 5