REMARK  Name = BDB057994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.197  -2.408  -1.124  0.00  0.00    -0.231 N 
ATOM      2  C   LIG    1       -0.853  -2.785  -1.056  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1       -0.813  -4.115  -1.431  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -2.123  -4.452  -1.805  0.00  0.00    +0.170 A 
ATOM      5  N   LIG    1       -2.958  -3.409  -1.672  0.00  0.00    -0.159 NA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -4.226   1.142   0.088  0.00  0.00    -0.045 A 
ATOM      7  C   LIG    1       -2.932   0.871   0.552  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -2.252  -0.291   0.166  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -2.851  -1.206  -0.705  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -4.157  -0.949  -1.154  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -4.831   0.213  -0.767  0.00  0.00    +0.006 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -4.246   3.663   0.037  0.00  0.00    +0.012 C 
ATOM     13  C   LIG    1       -4.976   2.397   0.495  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1       -5.234   2.432   2.003  0.00  0.00    +0.012 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  15
ATOM     15  C   LIG    1        0.293  -1.937  -0.737  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        1.121  -2.252   0.348  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        2.232  -1.455   0.652  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        2.531  -0.342  -0.132  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        1.715  -0.036  -1.224  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        0.607  -0.830  -1.531  0.00  0.00    +0.013 A 
BRANCH  18  21
ATOM     21  O   LIG    1        3.577   0.519   0.053  0.00  0.00    -0.487 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.462   0.247   1.138  0.00  0.00    +0.264 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.564   1.279   1.139  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1        6.376   1.451   0.007  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        7.409   2.389   0.009  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.645   3.163   1.143  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.848   3.001   2.275  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.814   2.062   2.275  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   2  15
BRANCH   4  29
ATOM     29  C   LIG    1       -2.620  -5.732  -2.314  0.00  0.00    +0.357 C 
ATOM     30  O   LIG    1       -1.931  -6.729  -2.474  0.00  0.00    -0.243 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -3.952  -5.695  -2.592  0.00  0.00    -0.476 OA
ATOM     32  H   LIG    1       -4.254  -4.781  -2.373  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH   4  29
TORSDOF 8