REMARK  Name = BDB021953
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.317  -0.175  -0.901  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1        0.967  -0.117  -1.850  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1        0.446   0.267   0.068  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1       -0.908   0.239  -0.314  0.00  0.00    -0.275 N 
ATOM      5  O   LIG    1        0.788   0.669   1.179  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        5.474  -0.913  -0.691  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        4.795  -0.882  -1.910  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        3.420  -0.632  -1.956  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        2.701  -0.406  -0.778  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        3.378  -0.454   0.441  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1        4.757  -0.705   0.484  0.00  0.00    +0.047 A 
BRANCH   6  12
ATOM     12  O   LIG    1        6.812  -1.171  -0.793  0.00  0.00    -0.492 OA
BRANCH  12  14
ATOM     13  C   LIG    1        7.695  -2.404   1.098  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1        7.622  -1.069   0.376  0.00  0.00    +0.225 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   4  15
ATOM     15  C   LIG    1       -1.879   0.795   0.652  0.00  0.00    +0.080 C 
ATOM     16  C   LIG    1       -3.108   1.454   0.011  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -4.138   1.762   1.095  0.00  0.00    +0.086 C 
ATOM     18  N   LIG    1       -4.668   0.542   1.725  0.00  0.00    -0.302 NA
ATOM     19  C   LIG    1       -3.743  -0.599   1.682  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1       -2.266  -0.218   1.747  0.00  0.00    +0.038 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -5.170   0.788   3.085  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -6.311   1.801   3.127  0.00  0.00    +0.020 C 
ENDBRANCH  18  21
ENDBRANCH   4  15
BRANCH   4  23
ATOM     23  C   LIG    1       -1.393  -0.679  -1.352  0.00  0.00    +0.183 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.386  -0.011  -2.683  0.00  0.00    +0.122 A 
ATOM     25  O   LIG    1       -0.187   0.026  -3.341  0.00  0.00    -0.466 OA
ATOM     26  C   LIG    1       -0.399   0.665  -4.519  0.00  0.00    +0.195 A 
ATOM     27  C   LIG    1       -1.718   1.032  -4.638  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -2.359   0.590  -3.456  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7