REMARK  Name = BDB028848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.305  -3.135  -0.246  0.00  0.00    +0.132 C 
ATOM      2  N   LIG    1       -1.774  -1.785  -0.304  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1       -0.438  -1.608  -0.658  0.00  0.00    +0.241 C 
ATOM      4  O   LIG    1        0.324  -2.570  -0.799  0.00  0.00    -0.273 OA
ATOM      5  C   LIG    1        0.049  -0.141  -0.882  0.00  0.00    +0.194 C 
ATOM      6  C   LIG    1       -0.826   0.906  -0.207  0.00  0.00    -0.013 A 
ATOM      7  C   LIG    1       -2.183   0.612   0.006  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -3.026   1.575   0.578  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -2.526   2.826   0.936  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -1.188   3.132   0.703  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -0.345   2.184   0.123  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.730  -0.705  -0.467  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   5  13
ATOM     13  N   LIG    1        1.471  -0.029  -0.501  0.00  0.00    -0.269 N 
ATOM     14  C   LIG    1        2.419  -0.142  -1.501  0.00  0.00    +0.309 C 
ATOM     15  O   LIG    1        2.166  -0.103  -2.701  0.00  0.00    -0.252 OA
ATOM     16  N   LIG    1        3.716  -0.254  -1.072  0.00  0.00    -0.240 N 
ATOM     17  H   LIG    1        4.409  -0.337  -1.801  0.00  0.00    +0.159 HD
ATOM     18  C   LIG    1        4.186   0.050   0.177  0.00  0.00    +0.222 C 
ATOM     19  O   LIG    1        5.390   0.154   0.401  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1        3.148   0.344   1.222  0.00  0.00    +0.115 C 
ATOM     21  C   LIG    1        1.865  -0.369   0.860  0.00  0.00    +0.119 C 
ENDBRANCH   5  13
TORSDOF 1