REMARK  Name = BDB054810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.704   0.557   1.575  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.527   0.659   2.950  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.263   1.506   3.683  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.397  -0.155   3.597  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.160  -1.066   2.861  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.014  -1.160   1.467  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.062  -0.348   0.829  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        6.643  -0.020  -0.994  0.00  0.00    +0.105 C 
ATOM      9  N   LIG    1        5.202  -0.253  -1.045  0.00  0.00    -0.302 NA
ATOM     10  C   LIG    1        4.702  -0.716   0.265  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        3.180  -0.546   0.431  0.00  0.00    +0.123 C 
ATOM     12  N   LIG    1        2.769   0.855   0.279  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        1.671   1.437   0.901  0.00  0.00    +0.249 C 
ATOM     14  O   LIG    1        1.443   2.643   0.890  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        3.682   1.715  -0.475  0.00  0.00    +0.123 C 
ATOM     16  C   LIG    1        4.470   0.932  -1.541  0.00  0.00    +0.103 C 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  C   LIG    1       -1.836  -2.164   0.688  0.00  0.00    +0.094 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.380  -1.638  -0.634  0.00  0.00    +0.087 A 
ATOM     19  C   LIG    1       -3.480  -0.611  -0.620  0.00  0.00    +0.059 A 
ATOM     20  N   LIG    1       -4.024  -0.129   0.561  0.00  0.00    -0.342 N 
ATOM     21  H   LIG    1       -3.862  -0.678   1.398  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1       -5.241   0.670   0.560  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1       -5.216   1.627  -0.629  0.00  0.00    +0.023 C 
ATOM     24  C   LIG    1       -4.970   0.875  -1.944  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -3.898  -0.174  -1.818  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1       -3.310  -0.715  -3.062  0.00  0.00    +0.270 A 
ATOM     27  O   LIG    1       -3.695  -0.354  -4.170  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -2.319  -1.647  -2.903  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -1.901  -2.027  -3.746  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -1.843  -2.116  -1.718  0.00  0.00    -0.174 NA
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 3