REMARK  Name = BDB056884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.472   5.297  -1.786  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.448   4.107  -1.698  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.112   2.890  -1.327  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.804   1.736  -1.341  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.210   0.586  -0.607  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.770  -0.664  -0.247  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.122  -1.415   0.413  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.238  -0.657   0.493  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        1.081   0.551  -0.120  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        2.039   1.677  -0.249  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        1.563   2.609  -1.384  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -1.649   4.234  -1.940  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -2.115  -1.159  -0.521  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -3.043  -1.420   0.523  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -4.335  -1.887   0.191  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1       -5.262  -2.136   1.209  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -4.891  -1.917   2.525  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1       -3.675  -1.474   2.893  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1       -4.676  -2.094  -1.156  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1       -3.754  -1.844  -2.177  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1       -2.787  -1.242   1.895  0.00  0.00    +0.119 A 
ATOM     22  C   LIG    1       -2.478  -1.376  -1.860  0.00  0.00    +0.029 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.116  -2.071  -3.545  0.00  0.00    +0.099 C 
ATOM     24  N   LIG    1       -4.409  -2.254  -4.652  0.00  0.00    -0.191 NA
ENDBRANCH  20  23
ENDBRANCH   6  13
BRANCH   8  25
ATOM     25  C   LIG    1        2.394  -1.228   1.173  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1        2.933  -0.356   2.311  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        4.138  -1.032   2.947  0.00  0.00    +0.162 C 
ATOM     28  O   LIG    1        5.132  -1.296   1.958  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        4.679  -2.215   0.964  0.00  0.00    +0.162 C 
ATOM     30  C   LIG    1        3.503  -1.630   0.198  0.00  0.00    +0.055 C 
ENDBRANCH   8  25
TORSDOF 3