REMARK  Name = BDB056533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.512  -0.242   0.222  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        1.376   0.585   0.283  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.195   0.146   0.902  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1        0.150  -1.105   1.508  0.00  0.00    +0.136 A 
ATOM      5  F   LIG    1       -0.949  -1.525   2.149  0.00  0.00    -0.205 F 
ATOM      6  C   LIG    1        1.258  -1.942   1.465  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        2.425  -1.514   0.824  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  17
ATOM      8  N   LIG    1        6.678  -1.244   1.967  0.00  0.00    -0.311 N 
ATOM      9  H   LIG    1        5.716  -1.026   1.715  0.00  0.00    +0.147 HD
ATOM     10  H   LIG    1        6.865  -1.719   2.837  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1        7.724  -0.789   1.221  0.00  0.00    +0.317 C 
ATOM     12  N   LIG    1        7.337  -0.076   0.066  0.00  0.00    -0.255 N 
ATOM     13  C   LIG    1        6.051   0.197  -0.395  0.00  0.00    +0.149 A 
ATOM     14  C   LIG    1        6.154   0.949  -1.563  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        4.965   1.341  -2.192  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        3.759   0.953  -1.605  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1        3.765   0.198  -0.431  0.00  0.00    +0.073 A 
ATOM     18  C   LIG    1        7.531   1.131  -1.832  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1        4.899  -0.202   0.197  0.00  0.00    -0.229 NA
ATOM     20  C   LIG    1        8.230   0.498  -0.832  0.00  0.00    +0.098 A 
ATOM     21  O   LIG    1        8.905  -0.953   1.489  0.00  0.00    -0.249 OA
ENDBRANCH   1  17
BRANCH   3  22
ATOM     22  C   LIG    1       -0.953   1.068   0.962  0.00  0.00    +0.249 C 
ATOM     23  N   LIG    1       -2.186   0.666   0.461  0.00  0.00    -0.294 N 
ATOM     24  C   LIG    1       -2.416  -0.542  -0.346  0.00  0.00    +0.127 C 
ATOM     25  C   LIG    1       -3.585  -0.386  -1.328  0.00  0.00    +0.127 C 
ATOM     26  N   LIG    1       -4.818   0.044  -0.667  0.00  0.00    -0.298 N 
ATOM     27  C   LIG    1       -6.034  -0.334  -1.214  0.00  0.00    +0.219 C 
ATOM     28  O   LIG    1       -6.138  -0.966  -2.260  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1       -4.675   0.872   0.535  0.00  0.00    +0.127 C 
ATOM     30  C   LIG    1       -3.318   1.584   0.607  0.00  0.00    +0.127 C 
ATOM     31  O   LIG    1       -0.752   2.187   1.430  0.00  0.00    -0.270 OA
BRANCH  27  32
ATOM     32  C   LIG    1       -7.264   0.070  -0.481  0.00  0.00    +0.075 C 
ATOM     33  C   LIG    1       -8.428  -0.893  -0.382  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -7.624  -0.572   0.841  0.00  0.00    +0.013 C 
ENDBRANCH  27  32
ENDBRANCH   3  22
TORSDOF 3