REMARK  Name = BDB059064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.081  -1.854   0.314  0.00  0.00    +0.076 A 
ATOM      2  C   LIG    1       -0.916  -0.764  -0.066  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -0.037   0.309  -0.210  0.00  0.00    +0.165 A 
ATOM      4  N   LIG    1       -0.377   1.579  -0.521  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -1.688   1.826  -0.704  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.648   0.826  -0.609  0.00  0.00    +0.039 A 
ATOM      7  N   LIG    1        1.244  -0.183   0.025  0.00  0.00    -0.214 N 
ATOM      8  C   LIG    1       -2.278  -0.489  -0.292  0.00  0.00    +0.073 A 
ATOM      9  N   LIG    1        1.210  -1.504   0.339  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        2.504   0.492  -0.015  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1        3.675  -0.232   0.277  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        4.918   0.399   0.246  0.00  0.00    +0.043 A 
ATOM     13 CL   LIG    1        6.342  -0.499   0.606  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        5.019   1.750  -0.072  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        3.866   2.476  -0.363  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        2.613   1.853  -0.336  0.00  0.00    +0.028 A 
ENDBRANCH   7  10
BRANCH   1  18
ATOM     17  C   LIG    1        0.358  -3.802   1.872  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -0.449  -3.271   0.679  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1       -0.289  -4.209  -0.519  0.00  0.00    +0.014 C 
ENDBRANCH   1  18
BRANCH   5  20
ATOM     20  C   LIG    1       -2.098   3.239  -1.055  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -2.968   4.035  -0.108  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1       -1.526   4.404  -0.279  0.00  0.00    +0.010 C 
ENDBRANCH   5  20
BRANCH   8  23
ATOM     23  C   LIG    1       -3.311  -1.540  -0.266  0.00  0.00    +0.338 C 
ATOM     24  O   LIG    1       -3.171  -2.713  -0.543  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.508  -1.051   0.106  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1       -5.101  -1.832   0.089  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH   8  23
TORSDOF 5