REMARK  Name = BDB028259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.691  -1.488   0.764  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.585  -0.876  -0.128  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.928  -0.698   0.227  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        3.373  -1.131   1.473  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.779  -0.915   1.848  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        5.562  -0.276   0.918  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        6.535  -0.116   1.162  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        5.164   0.147  -0.312  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        5.215  -1.286   2.933  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        2.493  -1.755   2.364  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.926  -0.052  -0.663  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        1.156  -1.936   2.007  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  20
ATOM     13  N   LIG    1       -2.656   1.508  -0.386  0.00  0.00    -0.295 NA
ATOM     14  C   LIG    1       -1.379   0.763  -0.385  0.00  0.00    +0.140 C 
ATOM     15  C   LIG    1       -1.547  -0.686  -0.072  0.00  0.00    +0.061 A 
ATOM     16  N   LIG    1       -2.754  -1.303  -0.260  0.00  0.00    -0.265 N 
ATOM     17  N   LIG    1       -2.768  -2.603   0.079  0.00  0.00    -0.179 NA
ATOM     18  C   LIG    1       -1.516  -2.824   0.490  0.00  0.00    +0.143 A 
ATOM     19  C   LIG    1       -3.970  -0.634  -0.679  0.00  0.00    +0.159 C 
ATOM     20  C   LIG    1       -0.701  -1.669   0.407  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -3.659   0.776  -1.186  0.00  0.00    +0.108 C 
BRANCH  13  23
ATOM     22  C   LIG    1       -4.286   2.767   1.030  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -3.085   1.828   0.985  0.00  0.00    +0.081 C 
ENDBRANCH  13  23
ENDBRANCH   1  20
BRANCH  11  24
ATOM     24  C   LIG    1        3.512   0.421  -2.054  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  N   LIG    1        2.742   1.662  -1.933  0.00  0.00    -0.325 NA
ATOM     26  H   LIG    1        3.334   2.360  -1.477  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1        2.565   2.030  -2.868  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH  11  24
TORSDOF 4