REMARK  Name = BDB045592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.365   0.394   0.303  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.047  -0.098   0.272  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -1.852  -1.476   0.303  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -0.489  -1.630   0.265  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -0.001  -2.511   0.300  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.101  -0.389   0.188  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -2.894  -2.406   0.365  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -4.196  -1.896   0.393  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -0.833   0.544   0.183  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -4.434  -0.521   0.364  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.548  -0.149   0.134  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        2.023   1.164   0.268  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        3.392   1.447   0.225  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        4.323   0.419   0.036  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        3.855  -0.897  -0.093  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        2.483  -1.177  -0.049  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        5.803   0.713   0.010  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        6.379   0.580   1.237  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        6.494  -0.122  -0.817  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        6.096   1.975  -0.409  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  24
ATOM     21  N   LIG    1       -4.641   2.268  -0.523  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -4.977   1.687  -1.278  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -4.716   3.271  -0.635  0.00  0.00    +0.145 HD
ATOM     24  C   LIG    1       -3.624   1.847   0.294  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1       -2.994   2.644   0.973  0.00  0.00    -0.270 OA
ENDBRANCH   1  24
TORSDOF 3