REMARK  Name = BDB042816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.367  -0.175  -1.181  0.00  0.00    +0.128 C 
ATOM      2  C   LIG    1        0.484   0.552  -0.113  0.00  0.00    +0.090 C 
ATOM      3  N   LIG    1       -0.289   0.723   1.137  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        0.253   1.148   1.890  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.509   1.404   0.956  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -2.251   1.277  -0.224  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -3.502   1.870  -0.362  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -4.050   2.603   0.689  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -3.336   2.702   1.875  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -3.861   3.379   2.905  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -4.237   1.675  -1.618  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1       -5.332   2.194  -1.796  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -3.626   0.878  -2.557  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -4.120   0.722  -3.432  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1       -2.407   0.278  -2.436  0.00  0.00    -0.174 NA
ATOM     16  C   LIG    1       -2.088   2.097   2.023  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -1.739   0.460  -1.335  0.00  0.00    +0.083 A 
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        1.865  -0.111   0.198  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1        2.649   0.674   1.284  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1        4.164   0.445   1.266  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1        4.527  -0.894   0.659  0.00  0.00    +0.249 C 
ATOM     22  F   LIG    1        3.982  -1.879   1.419  0.00  0.00    -0.206 F 
ATOM     23  F   LIG    1        5.870  -1.074   0.705  0.00  0.00    -0.206 F 
ATOM     24  C   LIG    1        4.043  -1.028  -0.776  0.00  0.00    +0.076 C 
ATOM     25  C   LIG    1        2.752  -0.249  -1.054  0.00  0.00    +0.011 C 
ENDBRANCH   2  18
BRANCH   1  28
ATOM     26  C   LIG    1       -2.214  -2.011   0.785  0.00  0.00    +0.174 C 
ATOM     27  N   LIG    1       -1.231  -2.414  -0.185  0.00  0.00    -0.252 N 
ATOM     28  C   LIG    1       -0.447  -1.670  -1.035  0.00  0.00    +0.138 A 
ATOM     29  N   LIG    1        0.306  -2.506  -1.733  0.00  0.00    -0.219 NA
ATOM     30  C   LIG    1       -0.058  -3.736  -1.283  0.00  0.00    +0.245 A 
ATOM     31  N   LIG    1       -0.986  -3.732  -0.331  0.00  0.00    -0.158 NA
ENDBRANCH   1  28
TORSDOF 2