REMARK  Name = BDB055646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.427  -0.599   1.275  0.00  0.00    +0.155 C 
ATOM      2  C   LIG    1        1.621   0.111   0.687  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        1.915   1.464   0.665  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        3.103   1.865   0.053  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.972   0.918  -0.520  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1        3.676  -0.458  -0.498  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1        2.493  -0.826   0.119  0.00  0.00    +0.049 A 
ATOM      8  N   LIG    1        1.962  -2.102   0.280  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        2.372  -2.961  -0.065  0.00  0.00    +0.155 HD
ATOM     10  C   LIG    1        0.736  -2.074   0.938  0.00  0.00    +0.231 C 
ATOM     11  O   LIG    1        0.055  -3.050   1.208  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  21
ATOM     12  C   LIG    1       -1.352  -0.038  -0.589  0.00  0.00    +0.137 A 
ATOM     13  C   LIG    1       -2.716   0.376  -0.551  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -3.065   0.458   0.799  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1       -4.343   0.835   1.232  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -5.296   1.139   0.258  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.984   1.065  -1.097  0.00  0.00    +0.001 A 
ATOM     18  N   LIG    1       -1.957   0.099   1.533  0.00  0.00    -0.355 N 
ATOM     19  H   LIG    1       -1.944   0.049   2.543  0.00  0.00    +0.166 HD
ATOM     20  C   LIG    1       -3.703   0.684  -1.513  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -0.894  -0.190   0.707  0.00  0.00    +0.062 A 
BRANCH  12  23
ATOM     22  O   LIG    1       -0.950   0.191  -2.833  0.00  0.00    -0.143 OA
ATOM     23  N   LIG    1       -0.525  -0.288  -1.778  0.00  0.00    -0.028 NA
ENDBRANCH  12  23
ENDBRANCH   1  21
BRANCH   6  24
ATOM     24  C   LIG    1        4.630  -1.443  -1.104  0.00  0.00    +0.419 C 
ATOM     25  F   LIG    1        4.143  -2.715  -1.177  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        4.994  -1.112  -2.374  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        5.792  -1.535  -0.398  0.00  0.00    -0.166 F 
ENDBRANCH   6  24
TORSDOF 3