REMARK  Name = BDB029372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.080   1.732  -0.149  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        5.012   1.190   0.080  0.00  0.00    +0.222 C 
ATOM      3  N   LIG    1        3.798   1.499  -0.522  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        3.701   2.223  -1.218  0.00  0.00    +0.155 HD
ATOM      5  C   LIG    1        2.778   0.696  -0.038  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        3.285  -0.183   0.913  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.457  -1.088   1.545  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        1.100  -1.087   1.196  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        0.576  -0.194   0.226  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1        1.447   0.716  -0.400  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1        4.757   0.051   1.075  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -0.856  -0.220  -0.117  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1       -1.835  -0.057   0.882  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -3.205  -0.081   0.549  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -3.567  -0.271  -0.783  0.00  0.00    +0.046 A 
ATOM     16  N   LIG    1       -4.943  -0.255  -0.834  0.00  0.00    -0.361 N 
ATOM     17  H   LIG    1       -5.487  -0.371  -1.679  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -5.461  -0.060   0.419  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -2.627  -0.437  -1.803  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1       -4.407   0.052   1.297  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -1.273  -0.407  -1.445  0.00  0.00    +0.010 A 
ENDBRANCH   9  12
TORSDOF 1