REMARK  Name = BDB004074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.237   1.033  -0.142  0.00  0.00    +0.109 A 
ATOM      2  C   LIG    1        3.130  -0.449  -0.380  0.00  0.00    +0.279 A 
ATOM      3  O   LIG    1        4.171  -1.102  -0.511  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1        1.847  -0.979  -0.404  0.00  0.00    -0.266 N 
ATOM      5  C   LIG    1        0.748  -0.162  -0.145  0.00  0.00    +0.148 A 
ATOM      6  C   LIG    1       -0.608  -0.822  -0.158  0.00  0.00    +0.031 A 
ATOM      7  C   LIG    1       -0.693  -2.137  -0.424  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        0.485  -2.917  -0.686  0.00  0.00    +0.019 A 
ATOM      9  N   LIG    1        0.840   1.112   0.098  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        1.689  -2.335  -0.664  0.00  0.00    +0.096 A 
ATOM     11  C   LIG    1        2.084   1.672   0.085  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.821  -0.046   0.127  0.00  0.00    +0.056 A 
ATOM     13  C   LIG    1       -2.695   0.332  -0.894  0.00  0.00    +0.134 A 
ATOM     14  F   LIG    1       -2.448  -0.024  -2.164  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -3.842   1.080  -0.626  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1       -4.131   1.463   0.684  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -3.271   1.092   1.716  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -2.127   0.344   1.433  0.00  0.00    +0.134 A 
ATOM     19  F   LIG    1       -1.328  -0.011   2.450  0.00  0.00    -0.205 F 
ENDBRANCH   6  12
BRANCH   1  20
ATOM     20  N   LIG    1        4.500   1.606  -0.149  0.00  0.00    -0.353 N 
ATOM     21  H   LIG    1        4.597   2.372   0.511  0.00  0.00    +0.143 HD
ATOM     22  H   LIG    1        5.218   0.886  -0.032  0.00  0.00    +0.143 HD
ENDBRANCH   1  20
TORSDOF 2