REMARK  Name = BDB028345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.382   1.611  -0.334  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.047   0.374  -0.354  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.239   0.203   0.360  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.769   1.273   1.076  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.023   1.086   1.824  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.587  -0.163   1.752  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.455  -0.311   2.259  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.091  -1.230   1.070  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        4.522   2.000   2.471  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        2.121   2.514   1.088  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.981  -1.081   0.404  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.929   2.681   0.381  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -4.209   1.009  -2.184  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -2.882   1.485  -1.863  0.00  0.00    -0.265 N 
ATOM     15  C   LIG    1       -1.993   0.989  -0.931  0.00  0.00    +0.096 A 
ATOM     16  C   LIG    1       -0.860   1.785  -1.061  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1       -1.202   2.754  -2.026  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1       -2.437   2.592  -2.495  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1       -2.270  -0.136  -0.030  0.00  0.00    +0.110 A 
ATOM     20  N   LIG    1       -2.579  -1.397  -0.558  0.00  0.00    -0.138 N 
ATOM     21  O   LIG    1       -2.656  -1.613  -1.811  0.00  0.00    -0.164 OA
ATOM     22  C   LIG    1       -2.805  -2.449   0.322  0.00  0.00    +0.134 A 
ATOM     23  C   LIG    1       -2.731  -2.284   1.702  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1       -2.424  -1.034   2.222  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -2.193   0.037   1.363  0.00  0.00    +0.031 A 
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  26
ATOM     26  C   LIG    1        2.408  -2.281  -0.360  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1        3.245  -3.472  -0.171  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1        3.372  -3.604   0.836  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1        4.188  -3.240  -0.492  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 4