REMARK  Name = BDB054806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.461  -0.861  -0.544  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.515  -1.641  -1.698  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.413  -1.524  -2.661  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.534  -2.572  -1.887  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.522  -2.729  -0.915  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.501  -1.954   0.252  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.457  -1.032   0.434  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1        1.602   0.275  -1.230  0.00  0.00    -0.310 N 
ATOM      9  H   LIG    1        1.610  -0.340  -2.037  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1        0.598   0.158  -0.296  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        0.547   0.851   0.716  0.00  0.00    -0.270 OA
BRANCH   8  12
ATOM     12  C   LIG    1        2.692   1.225  -1.083  0.00  0.00    +0.120 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.757   0.745  -0.076  0.00  0.00    +0.103 C 
BRANCH  13  18
ATOM     14  C   LIG    1        8.608   0.863   0.210  0.00  0.00    +0.105 C 
ATOM     15  N   LIG    1        7.446  -0.013   0.066  0.00  0.00    -0.303 NA
ATOM     16  C   LIG    1        6.703   0.280  -1.175  0.00  0.00    +0.099 C 
ATOM     17  C   LIG    1        5.828   1.558  -1.132  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1        4.914   1.657   0.027  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        5.685   1.390   1.262  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1        6.540   0.101   1.227  0.00  0.00    +0.099 C 
ENDBRANCH  13  18
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   6  21
ATOM     21  C   LIG    1       -3.565  -2.126   1.313  0.00  0.00    +0.094 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.976  -1.891   0.789  0.00  0.00    +0.087 A 
ATOM     23  C   LIG    1       -5.493  -0.481   0.689  0.00  0.00    +0.059 A 
ATOM     24  N   LIG    1       -4.702   0.615   1.018  0.00  0.00    -0.342 N 
ATOM     25  H   LIG    1       -3.704   0.463   0.891  0.00  0.00    +0.146 HD
ATOM     26  C   LIG    1       -5.127   1.964   0.659  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -6.627   2.103   0.901  0.00  0.00    +0.023 C 
ATOM     28  C   LIG    1       -7.411   1.011   0.161  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -6.762  -0.341   0.274  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -7.562  -1.527  -0.103  0.00  0.00    +0.270 A 
ATOM     31  O   LIG    1       -8.718  -1.426  -0.502  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -6.932  -2.738   0.005  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -7.469  -3.562  -0.243  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -5.664  -2.944   0.454  0.00  0.00    -0.174 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 6