REMARK  Name = BDB025324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.115   0.147  -0.129  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1        1.138  -0.374  -0.354  0.00  0.00    +0.143 A 
ATOM      3  C   LIG    1        2.046   0.675  -0.365  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        3.395   0.362  -0.594  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.727  -0.979  -0.790  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.728  -1.958  -0.749  0.00  0.00    +0.146 A 
ATOM      7  C   LIG    1        1.312   1.871  -0.112  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        1.682   3.228   0.008  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        0.707   4.192   0.274  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.625   3.825   0.421  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -1.020   2.488   0.308  0.00  0.00    +0.026 A 
ATOM     12  N   LIG    1        1.412  -1.684  -0.525  0.00  0.00    -0.225 NA
ATOM     13  C   LIG    1       -0.036   1.520   0.041  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1       -5.293  -1.444   0.809  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1       -4.110  -1.190   0.606  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1       -3.718  -0.480  -0.501  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -4.459  -0.202  -1.131  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -2.435  -0.234  -0.942  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1       -2.262   0.266  -2.051  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1       -1.312  -0.687  -0.021  0.00  0.00    +0.176 C 
ATOM     21  C   LIG    1       -1.785  -0.798   1.430  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -3.008  -1.698   1.503  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
BRANCH   6  23
ATOM     23  C   LIG    1        3.144  -3.409  -0.965  0.00  0.00    +0.434 C 
ATOM     24  F   LIG    1        4.077  -3.825  -0.058  0.00  0.00    -0.164 F 
ATOM     25  F   LIG    1        3.713  -3.614  -2.190  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1        2.120  -4.306  -0.877  0.00  0.00    -0.164 F 
ENDBRANCH   6  23
TORSDOF 2