REMARK  Name = BDB040778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.131   0.762  -0.401  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.963  -0.014   0.120  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -1.814   1.270   0.034  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -0.458   2.005   0.022  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        4.258  -0.273  -0.452  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        3.260  -1.247  -0.391  0.00  0.00    +0.132 A 
ATOM      7  F   LIG    1        3.601  -2.543  -0.337  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        1.905  -0.917  -0.373  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1        1.497   0.419  -0.404  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        2.488   1.404  -0.466  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.840   1.056  -0.482  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1        4.744   2.045  -0.507  0.00  0.00    -0.205 F 
BRANCH   5  19
ATOM     13  O   LIG    1        8.330   2.202   0.979  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        7.590   1.305   0.584  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1        7.502   0.995  -0.749  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1        8.051   1.576  -1.367  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1        6.591   0.170  -1.364  0.00  0.00    +0.227 C 
ATOM     18  O   LIG    1        6.482   0.168  -2.589  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.714  -0.690  -0.464  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1        6.314  -0.815   0.941  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1        6.686   0.540   1.519  0.00  0.00    +0.097 C 
ENDBRANCH   5  19
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  N   LIG    1       -2.530   1.398  -1.212  0.00  0.00    -0.292 N 
ATOM     23  H   LIG    1       -1.918   1.380  -2.027  0.00  0.00    +0.151 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.738   0.848  -1.430  0.00  0.00    +0.308 A 
ATOM     25  O   LIG    1       -4.508   0.531  -0.346  0.00  0.00    -0.405 OA
ATOM     26  C   LIG    1       -5.628   0.009  -0.940  0.00  0.00    +0.250 A 
ATOM     27  N   LIG    1       -5.544  -0.002  -2.254  0.00  0.00    -0.106 NA
ATOM     28  N   LIG    1       -4.317   0.546  -2.570  0.00  0.00    -0.092 NA
BRANCH  26  29
ATOM     29  C   LIG    1       -6.701  -0.448  -0.066  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -7.856  -1.020  -0.625  0.00  0.00    +0.014 A 
ATOM     31  C   LIG    1       -8.901  -1.468   0.189  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1       -8.801  -1.346   1.572  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1      -10.085  -1.896   2.575  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1       -7.666  -0.781   2.147  0.00  0.00    +0.021 A 
ATOM     35  C   LIG    1       -6.620  -0.334   1.332  0.00  0.00    +0.014 A 
ENDBRANCH  26  29
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 5