REMARK  Name = BDB054473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.255   0.012   0.641  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1        0.457   0.393  -0.275  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.485  -0.273   1.244  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        2.554   0.021   0.478  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        3.727  -0.259   1.072  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1        3.901  -0.794   2.332  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        5.293  -0.898   2.491  0.00  0.00    +0.146 A 
ATOM      8  N   LIG    1        5.967  -0.465   1.421  0.00  0.00    -0.177 NA
ATOM      9  C   LIG    1        2.749  -1.067   3.048  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        4.989  -0.076   0.563  0.00  0.00    -0.243 N 
ATOM     11  N   LIG    1        1.547  -0.799   2.487  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1        5.311   0.469  -0.749  0.00  0.00    +0.110 C 
ATOM     13  C   LIG    1        6.196   1.729  -0.667  0.00  0.00    +0.030 C 
ATOM     14  C   LIG    1        7.601   1.236  -0.876  0.00  0.00    -0.006 C 
ATOM     15  C   LIG    1        7.539  -0.142  -1.462  0.00  0.00    -0.006 C 
ATOM     16  C   LIG    1        8.155   0.981  -2.252  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1        6.095  -0.527  -1.627  0.00  0.00    +0.030 C 
ENDBRANCH  10  12
ENDBRANCH   1   3
BRANCH   1  22
ATOM     18  C   LIG    1       -3.684  -0.895   3.377  0.00  0.00    +0.149 C 
ATOM     19  N   LIG    1       -2.845  -0.510   2.262  0.00  0.00    -0.344 N 
ATOM     20  C   LIG    1       -3.294  -0.053   1.036  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1       -2.151   0.225   0.294  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1       -1.016  -0.119   1.063  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1       -1.475  -0.578   2.271  0.00  0.00    +0.109 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -4.694   0.140   0.699  0.00  0.00    +0.263 C 
ATOM     25  N   LIG    1       -5.087  -0.098  -0.612  0.00  0.00    -0.291 N 
ATOM     26  C   LIG    1       -6.479   0.103  -1.026  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -6.521  -0.440  -2.461  0.00  0.00    +0.026 C 
ATOM     28  C   LIG    1       -5.482  -1.550  -2.430  0.00  0.00    +0.021 C 
ATOM     29  C   LIG    1       -4.384  -0.954  -1.560  0.00  0.00    +0.108 C 
ATOM     30  O   LIG    1       -5.513   0.503   1.542  0.00  0.00    -0.268 OA
BRANCH  26  31
ATOM     31  C   LIG    1       -6.957   1.559  -0.947  0.00  0.00    +0.178 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -8.253   1.693  -1.527  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1       -8.541   2.606  -1.355  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  26  31
ENDBRANCH  20  24
ENDBRANCH   1  22
TORSDOF 6