REMARK  Name = BDB013685
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.650   0.467  -0.341  0.00  0.00    -0.325 N 
ATOM      2  H   LIG    1        0.385   1.192   0.325  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.938  -0.024  -0.265  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        3.020   0.860   0.243  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        4.287   0.312   0.401  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        5.341   1.094   0.895  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        5.125   2.433   1.219  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.861   2.993   1.042  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.521  -1.091   0.025  0.00  0.00    +0.275 A 
ATOM     10  O   LIG    1        5.632  -1.586   0.205  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1        3.444  -1.767  -0.533  0.00  0.00    -0.230 N 
ATOM     12  C   LIG    1        3.587  -3.155  -0.926  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1        2.810   2.212   0.552  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        2.179  -1.252  -0.633  0.00  0.00    -0.153 NA
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -0.493  -0.407  -0.610  0.00  0.00    +0.126 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.820   0.411  -0.486  0.00  0.00    +0.106 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.059  -0.436  -0.741  0.00  0.00    +0.006 A 
ATOM     18  C   LIG    1       -4.055   0.039  -1.604  0.00  0.00    +0.128 A 
ATOM     19  F   LIG    1       -3.917   1.237  -2.192  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -5.205  -0.699  -1.877  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -5.382  -1.944  -1.282  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -4.408  -2.441  -0.417  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.256  -1.695  -0.148  0.00  0.00    +0.008 A 
ENDBRANCH  16  17
BRANCH  16  25
ATOM     24  C   LIG    1       -1.966   0.472   2.002  0.00  0.00    +0.105 C 
ATOM     25  N   LIG    1       -1.834   1.237   0.764  0.00  0.00    -0.300 NA
ATOM     26  C   LIG    1       -2.842   2.297   0.708  0.00  0.00    +0.105 C 
ENDBRANCH  16  25
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5