REMARK  Name = BDB056078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.888  -0.336  -1.020  0.00  0.00    +0.208 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.910   0.531  -1.568  0.00  0.00    -0.276 N 
ATOM      3  C   LIG    1       -2.560   1.613  -0.949  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -3.401   2.195  -1.903  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -4.196   3.285  -1.636  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -4.125   3.803  -0.342  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -3.277   3.235   0.630  0.00  0.00    +0.022 A 
ATOM      8 CL   LIG    1       -5.090   5.168   0.075  0.00  0.00    -0.083 Cl
ATOM      9  N   LIG    1       -3.257   1.497  -3.096  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1       -3.707   1.692  -3.976  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -2.477   2.125   0.327  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -2.317   0.475  -2.914  0.00  0.00    +0.329 A 
ATOM     13  O   LIG    1       -1.944  -0.308  -3.771  0.00  0.00    -0.247 OA
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -1.348  -1.095   0.225  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1       -0.779  -0.903   1.493  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -1.236  -1.627   2.598  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -2.269  -2.566   2.463  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1       -2.848  -2.753   1.202  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1       -2.391  -2.030   0.097  0.00  0.00    +0.007 A 
BRANCH  17  20
ATOM     20  C   LIG    1       -2.776  -3.326   3.664  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1       -1.802  -3.579   4.584  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -3.753  -2.652   4.330  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -3.307  -4.540   3.345  0.00  0.00    -0.166 F 
ENDBRANCH  17  20
ENDBRANCH   1  14
BRANCH   1  25
ATOM     24  O   LIG    1        0.581   1.591  -0.605  0.00  0.00    -0.273 OA
ATOM     25  C   LIG    1        0.470   0.395  -0.868  0.00  0.00    +0.241 C 
ATOM     26  N   LIG    1        1.576  -0.435  -1.002  0.00  0.00    -0.310 N 
ATOM     27  H   LIG    1        1.423  -1.437  -1.013  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1        2.931   0.048  -0.777  0.00  0.00    +0.073 C 
ATOM     29  C   LIG    1        3.267   0.075   0.717  0.00  0.00    +0.022 C 
ATOM     30  C   LIG    1        4.652   0.669   0.980  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        5.633   0.474  -0.177  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        5.347  -0.806  -0.949  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1        3.942  -0.809  -1.556  0.00  0.00    +0.022 C 
ENDBRANCH  26  28
ENDBRANCH   1  25
TORSDOF 5