REMARK  Name = BDB058620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.965   0.717  -0.315  0.00  0.00    -0.228 N 
ATOM      2  C   LIG    1       -1.268   2.074  -0.371  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1       -0.432   2.973  -0.380  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1       -2.699   2.421  -0.438  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.655   1.414  -0.374  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -5.013   1.741  -0.502  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -5.402   3.075  -0.657  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.442   4.084  -0.695  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.164   0.030  -0.198  0.00  0.00    +0.099 A 
ATOM     10  C   LIG    1       -3.090   3.759  -0.590  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1       -1.903  -0.279  -0.190  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -4.122  -1.085  -0.018  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -4.926  -1.146   1.125  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -5.814  -2.210   1.283  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.886  -3.210   0.311  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.066  -3.156  -0.817  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -4.175  -2.095  -0.982  0.00  0.00    +0.010 A 
ENDBRANCH   9  12
BRANCH   1  18
ATOM     18  C   LIG    1        0.428   0.283  -0.239  0.00  0.00    +0.148 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.934   0.281   1.207  0.00  0.00    +0.033 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.176  -0.586   1.400  0.00  0.00    +0.098 C 
BRANCH  20  22
ATOM     21  O   LIG    1        3.436   0.995   0.089  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        3.426  -0.058   0.713  0.00  0.00    +0.217 C 
ATOM     23  N   LIG    1        4.500  -0.915   0.899  0.00  0.00    -0.285 N 
ATOM     24  H   LIG    1        4.324  -1.746   1.450  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1        5.816  -0.763   0.412  0.00  0.00    +0.035 A 
ATOM     26  C   LIG    1        6.736  -1.768   0.734  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        8.056  -1.685   0.287  0.00  0.00    +0.043 A 
ATOM     28 CL   LIG    1        9.173  -2.931   0.692  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1        8.477  -0.605  -0.483  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        7.567   0.399  -0.807  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        6.243   0.320  -0.361  0.00  0.00    +0.023 A 
ENDBRANCH  23  25
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6