REMARK  Name = BDB054808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.782   1.128   0.494  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.667   2.508   0.621  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.433   3.188   1.487  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.245   3.209  -0.161  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.058   2.520  -1.065  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.976   1.121  -1.182  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.040   0.428  -0.398  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.357  -0.518  -0.171  0.00  0.00    +0.054 C 
ATOM      9  C   LIG    1        5.136   0.992  -0.256  0.00  0.00    +0.037 C 
ATOM     10  C   LIG    1        3.663   1.311   0.013  0.00  0.00    +0.109 C 
ATOM     11  N   LIG    1        3.089   0.494   1.087  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1        1.724   0.377   1.337  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1        1.240  -0.351   2.202  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        4.029  -0.160   1.984  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        5.012  -1.056   1.228  0.00  0.00    +0.037 C 
BRANCH   8  16
ATOM     16  N   LIG    1        6.727  -0.867  -0.551  0.00  0.00    -0.327 NA
ATOM     17  H   LIG    1        7.389  -0.456   0.107  0.00  0.00    +0.118 HD
ATOM     18  H   LIG    1        6.853  -1.877  -0.478  0.00  0.00    +0.118 HD
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   6  19
ATOM     19  C   LIG    1       -1.852   0.396  -2.180  0.00  0.00    +0.094 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.487  -0.880  -1.645  0.00  0.00    +0.087 A 
ATOM     21  C   LIG    1       -3.664  -0.773  -0.712  0.00  0.00    +0.059 A 
ATOM     22  N   LIG    1       -4.127   0.459  -0.258  0.00  0.00    -0.342 N 
ATOM     23  H   LIG    1       -3.392   1.159  -0.179  0.00  0.00    +0.146 HD
ATOM     24  C   LIG    1       -5.080   0.515   0.849  0.00  0.00    +0.102 C 
ATOM     25  C   LIG    1       -6.119  -0.590   0.680  0.00  0.00    +0.023 C 
ATOM     26  C   LIG    1       -5.446  -1.963   0.550  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -4.241  -1.930  -0.349  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -3.684  -3.221  -0.810  0.00  0.00    +0.270 A 
ATOM     29  O   LIG    1       -4.189  -4.292  -0.490  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -2.568  -3.148  -1.601  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -2.172  -4.025  -1.927  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -1.973  -2.006  -2.046  0.00  0.00    -0.174 NA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 4