REMARK  Name = BDB054692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.971  -0.476  -0.690  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1       -1.397   0.403  -0.955  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.995  -1.282  -0.181  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -3.205  -0.695  -0.182  0.00  0.00    -0.196 NA
ATOM      5  C   LIG    1       -4.191  -1.462   0.310  0.00  0.00    +0.146 A 
ATOM      6  C   LIG    1       -4.044  -2.758   0.783  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1       -5.322  -3.216   1.181  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -6.215  -2.197   0.935  0.00  0.00    +0.088 A 
ATOM      9  C   LIG    1       -2.758  -3.279   0.748  0.00  0.00    +0.126 A 
ATOM     10  N   LIG    1       -5.517  -1.114   0.435  0.00  0.00    -0.329 N 
ATOM     11  N   LIG    1       -1.744  -2.529   0.266  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1       -6.153   0.130   0.034  0.00  0.00    +0.089 C 
ATOM     13  C   LIG    1       -5.254   1.344  -0.224  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -6.239   2.501  -0.259  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1       -7.229   2.186   0.852  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -7.148   0.675   1.076  0.00  0.00    +0.025 C 
ENDBRANCH  10  12
ENDBRANCH   1   3
BRANCH   1  21
ATOM     17  C   LIG    1        2.510  -0.276  -1.419  0.00  0.00    +0.106 A 
ATOM     18  N   LIG    1        2.376  -1.580  -0.992  0.00  0.00    -0.344 N 
ATOM     19  C   LIG    1        3.411  -2.590  -0.981  0.00  0.00    +0.149 C 
ATOM     20  C   LIG    1        1.077  -1.818  -0.620  0.00  0.00    +0.109 A 
ATOM     21  C   LIG    1        0.345  -0.684  -0.876  0.00  0.00    +0.052 A 
ATOM     22  C   LIG    1        1.238   0.277  -1.402  0.00  0.00    +0.055 A 
BRANCH  17  28
ATOM     23  C   LIG    1        7.635   2.368   1.468  0.00  0.00    +0.105 C 
ATOM     24  N   LIG    1        6.862   1.195   1.066  0.00  0.00    -0.302 NA
ATOM     25  C   LIG    1        5.423   1.408   1.317  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1        4.522   0.429   0.542  0.00  0.00    +0.123 C 
ATOM     27  N   LIG    1        4.733   0.527  -0.909  0.00  0.00    -0.294 N 
ATOM     28  C   LIG    1        3.734   0.355  -1.862  0.00  0.00    +0.263 C 
ATOM     29  O   LIG    1        3.885   0.721  -3.026  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        6.010   1.097  -1.335  0.00  0.00    +0.123 C 
ATOM     31  C   LIG    1        7.140   0.805  -0.332  0.00  0.00    +0.103 C 
ENDBRANCH  17  28
ENDBRANCH   1  21
TORSDOF 4