REMARK  Name = BDB042720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.206   1.012   0.471  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1        0.458  -0.021  -0.482  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -0.342  -1.329  -0.493  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -1.784  -1.240  -0.221  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.543  -2.403  -0.306  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -1.863  -3.667  -0.619  0.00  0.00    +0.273 A 
ATOM      7  N   LIG    1       -0.508  -3.585  -0.834  0.00  0.00    -0.242 N 
ATOM      8  H   LIG    1       -0.020  -4.445  -1.067  0.00  0.00    +0.192 HD
ATOM      9  O   LIG    1       -2.482  -4.722  -0.682  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -3.923  -2.359  -0.110  0.00  0.00    +0.052 A 
ATOM     11  C   LIG    1       -4.519  -1.133   0.149  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -5.846  -1.068   0.314  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.762   0.036   0.234  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1       -2.371  -0.009   0.089  0.00  0.00    +0.040 A 
ATOM     15  N   LIG    1        0.246  -2.450  -0.798  0.00  0.00    -0.175 NA
ATOM     16  N   LIG    1       -1.630   1.183   0.120  0.00  0.00    -0.339 N 
ATOM     17  H   LIG    1       -2.098   1.897   0.678  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        1.923  -0.271  -0.161  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        2.912  -0.027  -1.119  0.00  0.00    +0.133 A 
ATOM     20  F   LIG    1        2.574   0.461  -2.321  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        4.257  -0.266  -0.856  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1        4.622  -0.762   0.387  0.00  0.00    +0.129 A 
ATOM     23  F   LIG    1        5.915  -0.993   0.651  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        3.670  -1.018   1.363  0.00  0.00    +0.077 A 
ATOM     25  C   LIG    1        2.331  -0.772   1.080  0.00  0.00    +0.133 A 
ATOM     26  F   LIG    1        1.420  -1.021   2.031  0.00  0.00    -0.205 F 
ENDBRANCH   2  18
BRANCH   1  28
ATOM     27  C   LIG    1       -0.029   3.316   1.578  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1        0.501   2.404   0.463  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        0.417   3.132  -0.882  0.00  0.00    +0.009 C 
ENDBRANCH   1  28
TORSDOF 2