REMARK  Name = BDB054489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.463  -0.965   0.029  0.00  0.00    -0.338 N 
ATOM      2  C   LIG    1       -1.221  -2.115  -0.144  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -2.555  -1.690  -0.222  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -3.571  -2.641  -0.394  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -3.182  -3.961  -0.476  0.00  0.00    +0.112 A 
ATOM      6  N   LIG    1       -1.906  -4.379  -0.406  0.00  0.00    -0.258 NA
ATOM      7  C   LIG    1       -2.581  -0.268  -0.103  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.614   0.693  -0.115  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -3.308   2.054   0.022  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.989   2.471   0.170  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1       -0.953   1.528   0.185  0.00  0.00    +0.072 A 
ATOM     12  C   LIG    1       -0.888  -3.484  -0.246  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1        0.482  -4.083  -0.180  0.00  0.00    +0.068 C 
ATOM     14  C   LIG    1       -1.268   0.163   0.049  0.00  0.00    +0.054 A 
ENDROOT
BRANCH  10  15
ATOM     15  O   LIG    1       -1.567   3.767   0.311  0.00  0.00    -0.495 OA
ATOM     16  C   LIG    1       -2.569   4.776   0.284  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
BRANCH   1  17
ATOM     17  C   LIG    1        0.986  -0.895   0.181  0.00  0.00    +0.122 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.696  -0.689  -1.156  0.00  0.00    +0.023 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.223  -0.744  -1.040  0.00  0.00    +0.017 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.859   0.309  -0.123  0.00  0.00    +0.080 C 
BRANCH  20  22
ATOM     21  C   LIG    1        4.245   2.655   0.254  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1        3.601   1.665  -0.600  0.00  0.00    -0.319 NA
ATOM     23  H   LIG    1        2.601   1.855  -0.630  0.00  0.00    +0.122 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6