REMARK  Name = BDB051770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.410   2.220   0.062  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.279   3.017   0.970  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.560   3.352   0.765  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.361   3.494   2.108  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.703   3.176   2.337  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.419   2.372   1.432  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.763   1.921   0.274  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.303   2.030  -2.238  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.233   1.733  -1.171  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        1.372   0.939  -1.082  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        2.043   0.566  -2.325  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1        3.494   0.163  -2.085  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        3.602  -1.041  -1.116  0.00  0.00    +0.022 C 
ATOM     14  N   LIG    1        4.915  -1.003  -0.429  0.00  0.00    -0.310 NA
ATOM     15  H   LIG    1        4.892  -1.643   0.366  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        5.897  -1.524  -1.390  0.00  0.00    +0.081 C 
ATOM     17  C   LIG    1        5.146  -2.506  -2.275  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1        3.688  -2.380  -1.858  0.00  0.00    +0.023 C 
ATOM     19  C   LIG    1        2.436  -1.055  -0.105  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        1.887   0.343   0.156  0.00  0.00    +0.110 C 
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1       -3.887   2.088   1.694  0.00  0.00    +0.090 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.410   0.776   1.153  0.00  0.00    +0.046 A 
ATOM     23  N   LIG    1       -4.108  -0.481   1.737  0.00  0.00    -0.296 N 
ATOM     24  C   LIG    1       -4.590  -1.653   1.147  0.00  0.00    +0.114 A 
ATOM     25  C   LIG    1       -4.135  -2.748   1.855  0.00  0.00    +0.054 A 
ATOM     26  C   LIG    1       -3.377  -2.259   2.930  0.00  0.00    +0.078 A 
ATOM     27 CL   LIG    1       -2.626  -3.243   4.095  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -5.426  -1.620  -0.028  0.00  0.00    +0.273 A 
ATOM     29  O   LIG    1       -5.883  -2.611  -0.585  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -5.690  -0.352  -0.499  0.00  0.00    -0.326 N 
ATOM     31  H   LIG    1       -6.272  -0.314  -1.329  0.00  0.00    +0.168 HD
ATOM     32  C   LIG    1       -3.391  -0.887   2.852  0.00  0.00    +0.133 A 
ATOM     33 CL   LIG    1       -2.677   0.203   3.957  0.00  0.00    -0.062 Cl
ATOM     34  C   LIG    1       -5.202   0.801   0.059  0.00  0.00    +0.108 A 
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 3