REMARK  Name = BDB048265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.171   1.478  -1.033  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -3.619   0.468  -0.071  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -2.240   0.252   0.110  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -1.802  -0.698   1.021  0.00  0.00    +0.068 A 
ATOM      5  N   LIG    1       -0.435  -0.631   0.940  0.00  0.00    -0.323 N 
ATOM      6  H   LIG    1        0.196  -1.125   1.546  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -0.080   0.305  -0.001  0.00  0.00    +0.218 A 
ATOM      8  C   LIG    1       -2.660  -1.474   1.801  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -4.029  -1.260   1.619  0.00  0.00    +0.002 A 
ATOM     10  N   LIG    1       -1.167   0.864  -0.492  0.00  0.00    -0.212 NA
ATOM     11  C   LIG    1       -4.500  -0.313   0.705  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   7  12
ATOM     12  N   LIG    1        1.218   0.625  -0.320  0.00  0.00    -0.230 N 
ATOM     13  C   LIG    1        2.394  -0.099  -0.042  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1        3.466   0.668  -0.513  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        4.783   0.275  -0.416  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        5.030  -0.965   0.172  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.966  -1.769   0.622  0.00  0.00    +0.002 A 
ATOM     18  N   LIG    1        2.968   1.826  -1.092  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1        3.486   2.567  -1.534  0.00  0.00    +0.170 HD
ATOM     20  C   LIG    1        2.633  -1.344   0.509  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        1.561   1.823  -1.004  0.00  0.00    +0.334 A 
ATOM     22  O   LIG    1        0.872   2.734  -1.434  0.00  0.00    -0.246 OA
ENDBRANCH   7  12
TORSDOF 1