REMARK  Name = BDB031326
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.419  -0.888   1.494  0.00  0.00    +0.249 C 
ATOM      2  N   LIG    1        0.634  -0.599   0.161  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -0.103  -0.853  -0.483  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        1.198  -0.693   2.421  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.745   0.057  -0.410  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        2.856   0.482   0.329  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        3.864   1.113  -0.365  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        3.806   1.331  -1.738  0.00  0.00    +0.067 A 
ATOM      9  N   LIG    1        4.971   1.985  -2.120  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        5.232   2.284  -3.044  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1        5.769   2.183  -0.983  0.00  0.00    +0.325 A 
ATOM     12  O   LIG    1        6.859   2.725  -0.948  0.00  0.00    -0.247 OA
ATOM     13  C   LIG    1        2.734   0.929  -2.494  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1        5.068   1.635   0.100  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1        5.403   1.634   1.049  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1        1.694   0.284  -1.812  0.00  0.00    +0.025 A 
ENDBRANCH   2   5
BRANCH   1  18
ATOM     17  C   LIG    1       -2.128  -1.118   1.305  0.00  0.00    -0.006 A 
ATOM     18  C   LIG    1       -0.880  -1.554   1.804  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1       -0.811  -2.658   2.674  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -1.965  -3.349   3.038  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -3.199  -2.936   2.550  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -3.280  -1.830   1.700  0.00  0.00    +0.009 A 
BRANCH  17  25
ATOM     23  C   LIG    1       -2.968  -1.349  -1.575  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -2.678  -0.026  -0.916  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1       -2.293   0.069   0.444  0.00  0.00    -0.014 A 
ATOM     26  C   LIG    1       -2.050   1.345   0.987  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -2.182   2.498   0.213  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -2.570   2.399  -1.118  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.821   1.147  -1.677  0.00  0.00    +0.004 A 
ENDBRANCH  17  25
ENDBRANCH   1  18
TORSDOF 3