REMARK  Name = BDB057440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.322   1.029   0.506  0.00  0.00    +0.136 A 
ATOM      2  C   LIG    1       -0.333   2.200   0.929  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -1.718   2.226   0.711  0.00  0.00    +0.079 A 
ATOM      4  C   LIG    1       -2.437   3.349   1.091  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1       -1.810   4.435   1.690  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1       -0.447   4.427   1.930  0.00  0.00    +0.039 A 
ATOM      7  F   LIG    1       -2.535   5.502   2.046  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1       -2.382   1.213   0.152  0.00  0.00    -0.227 NA
ATOM      9  C   LIG    1       -1.675   0.124  -0.198  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1        0.295   3.311   1.554  0.00  0.00    +0.016 A 
ATOM     11  N   LIG    1       -0.349   0.007  -0.052  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -2.403  -1.014  -0.796  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -1.750  -2.227  -1.092  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -2.433  -3.307  -1.660  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.791  -3.200  -1.945  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.465  -2.016  -1.662  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -3.778  -0.938  -1.094  0.00  0.00    +0.011 A 
ENDBRANCH   9  12
BRANCH   1  18
ATOM     18  N   LIG    1        1.731   0.936   0.647  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        2.165   1.747   0.228  0.00  0.00    +0.155 HD
BRANCH  18  25
ATOM     20  C   LIG    1        5.571  -2.171   0.354  0.00  0.00    +0.065 C 
ATOM     21  C   LIG    1        4.266  -1.506   0.555  0.00  0.00    +0.035 A 
ATOM     22  N   LIG    1        3.175  -2.163   1.046  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1        3.099  -3.136   1.326  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        2.092  -1.389   1.172  0.00  0.00    -0.158 NA
ATOM     25  C   LIG    1        2.471  -0.195   0.712  0.00  0.00    +0.146 A 
ATOM     26  C   LIG    1        3.838  -0.215   0.335  0.00  0.00    +0.068 A 
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 3