REMARK  Name = BDB016357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.119   2.481  -1.563  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.583   1.155  -0.952  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.417   0.473  -0.414  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.572   0.663  -0.951  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.497  -0.894  -0.075  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.687  -1.566   0.298  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.640  -2.943   0.603  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.446  -3.654   0.605  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -0.265  -2.995   0.310  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.983  -1.019   0.407  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.733  -1.667   0.612  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.461   0.249   0.354  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.676   0.419   0.506  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.264  -1.626  -0.018  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.550   1.418   0.179  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.043  -1.000  -0.306  0.00  0.00    -0.012 A 
ATOM     17  C   LIG    1        1.627  -0.105   0.605  0.00  0.00    +0.058 A 
ATOM     18  C   LIG    1        2.857   0.491   0.326  0.00  0.00    +0.163 A 
ATOM     19  O   LIG    1        3.341   1.372   1.259  0.00  0.00    -0.485 OA
ATOM     20  C   LIG    1        4.408   2.164   0.725  0.00  0.00    +0.270 C 
ATOM     21  C   LIG    1        5.392   1.293  -0.037  0.00  0.00    +0.270 C 
ATOM     22  O   LIG    1        4.763   0.697  -1.178  0.00  0.00    -0.485 OA
ATOM     23  C   LIG    1        3.536   0.175  -0.854  0.00  0.00    +0.162 A 
ATOM     24  C   LIG    1        2.967  -0.701  -1.773  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        1.728  -1.287  -1.499  0.00  0.00    +0.012 A 
ENDBRANCH  14  16
TORSDOF 1