REMARK  Name = BDB045661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.045   0.165  -0.593  0.00  0.00    +0.017 A 
ATOM      2  C   LIG    1       -1.241  -0.916  -0.975  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.151  -0.869  -0.811  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        0.782   0.259  -0.264  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1       -0.026   1.340   0.112  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.416   1.293  -0.050  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -9.233  -1.371  -1.699  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -7.960  -0.647  -1.365  0.00  0.00    -0.048 A 
ATOM      9  C   LIG    1       -6.731  -1.325  -1.421  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -5.580  -0.589  -1.129  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -5.591   0.761  -0.801  0.00  0.00    +0.102 A 
ATOM     12  N   LIG    1       -4.302   1.202  -0.564  0.00  0.00    -0.227 NA
ATOM     13  C   LIG    1       -3.505   0.162  -0.744  0.00  0.00    +0.139 A 
ATOM     14  C   LIG    1       -6.823   1.442  -0.761  0.00  0.00    +0.064 A 
ATOM     15  N   LIG    1       -4.255  -0.941  -1.085  0.00  0.00    -0.338 N 
ATOM     16  H   LIG    1       -3.894  -1.865  -1.262  0.00  0.00    +0.167 HD
ATOM     17  C   LIG    1       -7.997   0.720  -1.052  0.00  0.00    +0.018 A 
BRANCH  14  18
ATOM     18  C   LIG    1       -6.919   2.883  -0.430  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -7.998   3.464  -0.396  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1       -5.756   3.545  -0.164  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -4.859   3.066  -0.199  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -5.791   4.529   0.057  0.00  0.00    +0.145 HD
ENDBRANCH  14  18
ENDBRANCH   1  13
BRANCH   4  23
ATOM     23  C   LIG    1        2.241   0.306  -0.095  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        2.941  -0.701   0.572  0.00  0.00    +0.120 A 
ATOM     25  N   LIG    1        4.283  -0.725   0.759  0.00  0.00    -0.250 NA
ATOM     26  C   LIG    1        4.994   0.319   0.263  0.00  0.00    +0.126 A 
ATOM     27  C   LIG    1        4.394   1.372  -0.422  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        3.009   1.363  -0.596  0.00  0.00    +0.012 A 
BRANCH  26  29
ATOM     29  C   LIG    1        6.490   0.325   0.419  0.00  0.00    +0.265 C 
ATOM     30  N   LIG    1        7.116  -0.522   1.323  0.00  0.00    -0.296 N 
ATOM     31  C   LIG    1        6.502  -1.397   2.312  0.00  0.00    +0.108 C 
ATOM     32  C   LIG    1        7.649  -1.794   3.234  0.00  0.00    +0.020 C 
ATOM     33  C   LIG    1        8.860  -1.748   2.313  0.00  0.00    +0.020 C 
ATOM     34  C   LIG    1        8.563  -0.545   1.431  0.00  0.00    +0.108 C 
ATOM     35  O   LIG    1        7.146   1.107  -0.275  0.00  0.00    -0.268 OA
ENDBRANCH  26  29
ENDBRANCH   4  23
TORSDOF 4