REMARK  Name = BDB008860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.046   0.013  -0.217  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.096   0.206  -1.588  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.116   0.922  -2.083  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.819  -0.353  -2.474  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.901  -1.089  -1.986  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.087  -1.257  -0.604  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.142  -0.707   0.277  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.381   1.307   1.645  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.882   0.633   0.747  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1        2.254   0.432   0.615  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1        3.123   1.069   1.616  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1        4.553   1.310   1.094  0.00  0.00    +0.124 C 
ATOM     13  N   LIG    1        5.100   0.054   0.538  0.00  0.00    -0.326 N 
ATOM     14  C   LIG    1        4.269  -0.490  -0.556  0.00  0.00    +0.124 C 
ATOM     15  C   LIG    1        2.843  -0.754  -0.034  0.00  0.00    +0.127 C 
BRANCH  13  16
ATOM     16  C   LIG    1        6.481   0.084   0.274  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        7.146   0.854  -0.703  0.00  0.00    +0.062 A 
ATOM     18 CL   LIG    1        6.329   1.936  -1.779  0.00  0.00    -0.082 Cl
ATOM     19  C   LIG    1        8.540   0.777  -0.848  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        9.293  -0.062  -0.029  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        8.657  -0.828   0.940  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        7.270  -0.753   1.086  0.00  0.00    +0.024 A 
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  23
ATOM     23  C   LIG    1       -3.262  -2.042  -0.064  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.610  -1.583  -0.614  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -5.317  -0.429   0.025  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -4.705   0.309   1.183  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -5.411   1.629   1.508  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.926   1.474   1.450  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -7.375   1.005   0.066  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -6.515  -0.097  -0.488  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -7.058  -0.838  -1.653  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -8.139  -0.551  -2.157  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -6.279  -1.857  -2.131  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -6.636  -2.379  -2.924  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -5.076  -2.246  -1.632  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 4