REMARK  Name = BDB056646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.497  -0.698  -0.386  0.00  0.00    -0.289 N 
ATOM      2  C   LIG    1        0.595   0.773  -0.325  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -0.726   1.471   0.089  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.298   0.779   1.336  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1       -1.462  -0.748   1.213  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -2.717  -1.121   0.395  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.281  -1.433   0.500  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -0.121  -2.651   0.620  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1        1.769   1.264   0.530  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        2.523   2.364   0.079  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        3.588   2.864   0.833  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.911   2.272   2.050  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        5.221   2.886   2.980  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1        3.177   1.187   2.519  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        2.111   0.687   1.764  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1       -1.770   1.680  -1.009  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -1.727   1.046  -2.260  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -2.715   1.287  -3.219  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -2.639   0.478  -4.736  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -3.759   2.168  -2.958  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -3.816   2.814  -1.728  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -2.831   2.574  -0.766  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1        1.461  -1.416  -1.280  0.00  0.00    +0.090 C 
BRANCH  23  25
ATOM     24  C   LIG    1        3.747  -2.612  -1.367  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1        2.647  -2.024  -0.493  0.00  0.00    +0.020 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1        0.725  -2.456  -2.162  0.00  0.00    +0.141 C 
BRANCH  26  27
ATOM     27  C   LIG    1        1.325  -2.547  -3.500  0.00  0.00    +0.064 C 
ATOM     28  N   LIG    1        1.807  -2.599  -4.554  0.00  0.00    -0.197 NA
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  29
ATOM     29  C   LIG    1       -1.555  -1.389   2.627  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.646  -0.856   3.520  0.00  0.00    +0.306 C 
ATOM     31  O   LIG    1       -3.607  -0.175   3.207  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -2.471  -1.238   4.800  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1       -3.245  -0.866   5.274  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 9