REMARK  Name = BDB004103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.814  -0.407  -0.612  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        3.175  -1.654  -0.581  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1        1.784  -1.701  -0.419  0.00  0.00    +0.116 A 
ATOM      4  N   LIG    1        0.930  -2.769  -0.355  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -0.301  -2.303  -0.194  0.00  0.00    -0.064 NA
ATOM      6  N   LIG    1       -0.227  -0.956  -0.163  0.00  0.00    -0.232 N 
ATOM      7  C   LIG    1        1.065  -0.518  -0.299  0.00  0.00    +0.090 A 
ATOM      8  C   LIG    1        1.673   0.741  -0.324  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        3.068   0.769  -0.484  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.445  -0.161  -0.054  0.00  0.00    +0.195 C 
ATOM     11  C   LIG    1       -1.887  -0.138   1.408  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -1.097   0.010   2.341  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -3.233  -0.222   1.681  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -3.398  -0.358   2.674  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.178   0.653   1.208  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -5.119   0.982   1.927  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -3.958   1.294  -0.142  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1       -3.664   0.313  -1.268  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -2.532  -0.682  -1.008  0.00  0.00    +0.037 C 
ENDBRANCH   6  10
BRANCH   1  21
ATOM     20  C   LIG    1        5.892   0.749  -0.765  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.173  -0.478  -0.773  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
TORSDOF 2