REMARK  Name = BDB051886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  F   LIG    1        0.992  -2.677   3.797  0.00  0.00    -0.204 F 
ATOM      2  C   LIG    1        0.425  -1.795   2.958  0.00  0.00    +0.145 A 
ATOM      3  C   LIG    1        1.081  -1.467   1.759  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        0.453  -0.545   0.915  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -0.782   0.021   1.260  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.418  -0.315   2.462  0.00  0.00    -0.043 A 
ATOM      7  C   LIG    1       -0.803  -1.238   3.311  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1        2.349  -2.032   1.508  0.00  0.00    -0.283 N 
ATOM      9  H   LIG    1        2.432  -2.972   1.892  0.00  0.00    +0.155 HD
BRANCH   8  10
ATOM     10  C   LIG    1        3.289  -1.685   0.610  0.00  0.00    +0.198 A 
ATOM     11  N   LIG    1        3.518  -0.380   0.257  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1        3.018   0.412   0.628  0.00  0.00    +0.169 HD
ATOM     13  C   LIG    1        4.564  -0.345  -0.628  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        4.951  -1.674  -0.740  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1        6.023  -2.006  -1.580  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        6.672  -0.979  -2.281  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        6.274   0.364  -2.147  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1        5.192   0.701  -1.309  0.00  0.00    +0.040 A 
ATOM     19  N   LIG    1        4.170  -2.481   0.049  0.00  0.00    -0.214 NA
BRANCH  17  20
ATOM     20  C   LIG    1        6.983   1.445  -2.933  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1        8.300   1.172  -3.152  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        6.954   2.660  -2.316  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        6.430   1.637  -4.162  0.00  0.00    -0.166 F 
ENDBRANCH  17  20
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   6  24
ATOM     24  C   LIG    1       -2.758   0.292   2.816  0.00  0.00    +0.054 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.947  -0.473   2.217  0.00  0.00    +0.107 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.023  -0.333   0.766  0.00  0.00    -0.328 N 
ATOM     27  H   LIG    1       -4.214  -1.190   0.257  0.00  0.00    +0.147 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -4.718   0.759   0.255  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1       -5.232   0.769  -1.050  0.00  0.00    +0.077 A 
ATOM     30  C   LIG    1       -5.904   1.896  -1.512  0.00  0.00    +0.083 A 
ATOM     31  C   LIG    1       -6.362   1.740  -2.854  0.00  0.00    +0.036 A 
ATOM     32  C   LIG    1       -6.033   0.513  -3.382  0.00  0.00    +0.048 A 
ATOM     33  N   LIG    1       -6.089   3.002  -0.752  0.00  0.00    -0.235 NA
ATOM     34  C   LIG    1       -5.565   2.908   0.472  0.00  0.00    +0.223 A 
ATOM     35  S   LIG    1       -5.174  -0.453  -2.265  0.00  0.00    -0.092 S 
ATOM     36  N   LIG    1       -4.904   1.868   1.004  0.00  0.00    -0.220 NA
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 7