REMARK  Name = BDB046079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.270   0.074   0.403  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1       -0.979   0.649   0.190  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -1.257   2.018  -0.342  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1       -2.506   2.047  -1.217  0.00  0.00    +0.109 C 
ATOM      5  N   LIG    1       -3.740   1.942  -0.464  0.00  0.00    -0.311 N 
ATOM      6  H   LIG    1       -4.462   2.627  -0.654  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1       -4.234   0.865   0.225  0.00  0.00    +0.245 C 
ATOM      8  C   LIG    1       -3.397  -0.312   0.572  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.060  -1.480   1.003  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -3.354  -2.612   1.399  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.960  -2.619   1.392  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -1.308  -1.457   0.966  0.00  0.00    +0.048 A 
ATOM     13  O   LIG    1       -5.418   0.890   0.561  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1       -1.983  -0.308   0.550  0.00  0.00    +0.016 A 
ATOM     15  N   LIG    1        0.037  -1.190   0.891  0.00  0.00    -0.350 N 
ATOM     16  H   LIG    1        0.758  -1.826   1.200  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  19
ATOM     17  N   LIG    1        2.587  -0.265  -0.021  0.00  0.00    -0.308 N 
ATOM     18  H   LIG    1        2.324  -1.203  -0.284  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        1.587   0.656   0.221  0.00  0.00    +0.261 C 
ATOM     20  O   LIG    1        1.800   1.863   0.252  0.00  0.00    -0.269 OA
BRANCH  17  22
ATOM     21  C   LIG    1        4.729  -0.952  -0.987  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1        3.963   0.151  -0.261  0.00  0.00    +0.067 C 
ATOM     23  C   LIG    1        4.658   0.501   1.054  0.00  0.00    +0.027 C 
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 2