REMARK  Name = BDB063309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.448  -1.252  -0.015  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.103  -1.907  -1.181  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.270  -2.430  -1.357  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -1.119  -3.506  -2.434  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -0.012  -2.945  -3.313  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.941  -2.330  -2.299  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -0.457  -1.065   0.815  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        1.879  -0.653   0.240  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1        3.067  -1.623  -0.029  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1        3.908  -1.006  -1.147  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1        3.583   0.476  -1.101  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1        2.097   0.503  -0.774  0.00  0.00    +0.021 C 
BRANCH   8  16
ATOM     13  C   LIG    1        2.303   0.407   4.490  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        2.538   1.370   3.513  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        2.400   1.055   2.152  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        2.018  -0.229   1.733  0.00  0.00    -0.032 A 
ATOM     17  C   LIG    1        1.793  -1.191   2.740  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        1.929  -0.874   4.095  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1        2.798   1.878   6.290  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        2.406   0.587   5.842  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH   8  16
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -2.267  -1.314  -1.785  0.00  0.00    +0.238 C 
ATOM     22  N   LIG    1       -2.456  -0.364  -0.796  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1       -1.903  -0.504   0.053  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1       -2.826  -1.329  -2.879  0.00  0.00    -0.273 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.267   0.787  -0.825  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1       -4.071   1.143  -1.914  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1       -4.839   2.321  -1.843  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -4.786   3.103  -0.695  0.00  0.00    +0.066 A 
ATOM     29  N   LIG    1       -5.630   4.155  -0.936  0.00  0.00    -0.277 N 
ATOM     30  H   LIG    1       -5.844   4.929  -0.319  0.00  0.00    +0.189 HD
ATOM     31  N   LIG    1       -6.219   4.124  -2.146  0.00  0.00    -0.181 NA
ATOM     32  C   LIG    1       -3.997   2.776   0.408  0.00  0.00    +0.029 A 
ATOM     33  C   LIG    1       -5.737   3.004  -2.693  0.00  0.00    +0.142 A 
ATOM     34  C   LIG    1       -3.239   1.602   0.316  0.00  0.00    +0.025 A 
ENDBRANCH  22  25
ENDBRANCH   3  21
TORSDOF 5