REMARK  Name = BDB045570
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.941  -0.566   0.169  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1       -1.499  -1.822   0.092  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1       -0.987  -2.686   0.001  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.863  -1.715   0.189  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -3.094  -0.351   0.333  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -4.420   0.107   0.460  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -5.461  -0.840   0.440  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -5.191  -2.204   0.296  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -3.880  -2.672   0.168  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -1.894   0.337   0.324  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        3.309   0.312   0.022  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        2.361   1.226   0.510  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        0.987   0.935   0.546  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        0.498  -0.297   0.110  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        1.423  -1.226  -0.371  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        2.795  -0.924  -0.406  0.00  0.00    +0.024 A 
BRANCH  11  18
ATOM     17  C   LIG    1        5.545  -0.191  -0.879  0.00  0.00    +0.129 C 
ATOM     18  N   LIG    1        4.680   0.593   0.001  0.00  0.00    -0.336 N 
ATOM     19  C   LIG    1        5.132   1.956   0.275  0.00  0.00    +0.129 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  C   LIG    1       -4.748   1.544   0.613  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1       -5.906   1.929   0.729  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1       -3.709   2.429   0.618  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -2.748   2.110   0.512  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -3.903   3.415   0.712  0.00  0.00    +0.145 HD
ENDBRANCH   6  20
TORSDOF 3