REMARK  Name = BDB038766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.137   0.016  -0.190  0.00  0.00    +0.052 A 
ATOM      2  N   LIG    1        1.695  -0.410   1.039  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1        2.285  -0.222   1.842  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        0.341  -0.705   1.263  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -0.579  -0.704   0.191  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -1.921  -1.043   0.420  0.00  0.00    +0.144 A 
ATOM      7  C   LIG    1       -2.337  -1.425   1.701  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1       -1.419  -1.438   2.743  0.00  0.00    +0.129 A 
ATOM      9  F   LIG    1       -1.818  -1.806   3.967  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -0.073  -0.312  -1.157  0.00  0.00    +0.194 A 
ATOM     11  O   LIG    1       -0.778  -0.277  -2.158  0.00  0.00    -0.287 OA
ATOM     12  C   LIG    1       -0.090  -1.088   2.537  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1        1.356   0.070  -1.278  0.00  0.00    +0.077 A 
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1        5.872  -0.315  -0.546  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1        4.510  -0.620  -0.428  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        3.554   0.403  -0.302  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        3.986   1.741  -0.291  0.00  0.00    +0.050 A 
ATOM     18 CL   LIG    1        2.880   3.057  -0.112  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        5.346   2.045  -0.409  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        6.287   1.020  -0.537  0.00  0.00    +0.020 A 
BRANCH  14  22
ATOM     21  N   LIG    1        7.618  -2.221  -0.770  0.00  0.00    -0.191 NA
ATOM     22  C   LIG    1        6.837  -1.368  -0.673  0.00  0.00    +0.099 C 
ENDBRANCH  14  22
ENDBRANCH   1  16
BRANCH   6  23
ATOM     23  O   LIG    1       -2.819  -1.086  -0.622  0.00  0.00    -0.455 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.949  -0.308  -0.501  0.00  0.00    +0.129 A 
ATOM     25  C   LIG    1       -5.164  -0.901  -0.848  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -6.346  -0.163  -0.773  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -6.303   1.170  -0.366  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -7.760   2.082  -0.272  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -5.088   1.774  -0.042  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -3.904   1.035  -0.117  0.00  0.00    +0.048 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4