REMARK  Name = BDB004518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.065   1.815   0.355  0.00  0.00    +0.150 C 
ATOM      2  C   LIG    1        1.084   0.338  -0.044  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1       -0.426   0.056  -0.297  0.00  0.00    +0.101 C 
ATOM      4  C   LIG    1       -0.746  -1.433  -0.292  0.00  0.00    -0.009 A 
ATOM      5  C   LIG    1       -1.291  -1.800  -1.524  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -1.664  -3.092  -1.834  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -1.458  -4.061  -0.857  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -0.878  -3.732   0.379  0.00  0.00    +0.020 A 
ATOM      9 CL   LIG    1       -1.903  -5.694  -1.173  0.00  0.00    -0.083 Cl
ATOM     10  N   LIG    1       -1.340  -0.710  -2.369  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -1.631  -0.722  -3.335  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -0.509  -2.412   0.663  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -0.801   0.419  -1.774  0.00  0.00    +0.230 C 
ATOM     14  O   LIG    1       -0.648   1.487  -2.348  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -1.168   1.009   0.748  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -2.270   1.949   0.183  0.00  0.00    +0.023 C 
ATOM     17  C   LIG    1       -3.571   1.218  -0.136  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -4.142   0.570   1.120  0.00  0.00    +0.000 C 
ATOM     19  C   LIG    1       -3.130  -0.363   1.776  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -1.775   0.317   2.004  0.00  0.00    +0.023 C 
ATOM     21  N   LIG    1       -0.075   1.862   1.308  0.00  0.00    -0.298 NA
ATOM     22  H   LIG    1       -0.374   2.833   1.419  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   2  23
ATOM     23  C   LIG    1        2.065  -0.067  -1.136  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1        2.671  -1.334  -1.080  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1        2.397  -2.144  -0.044  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        3.562  -1.762  -2.066  0.00  0.00    +0.076 A 
ATOM     27 CL   LIG    1        4.282  -3.326  -1.979  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1        3.875  -0.924  -3.133  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        3.297   0.343  -3.202  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        2.402   0.769  -2.212  0.00  0.00    +0.007 A 
ENDBRANCH   2  23
BRANCH   1  34
ATOM     31  C   LIG    1        3.569   2.119   3.209  0.00  0.00    +0.128 C 
ATOM     32  N   LIG    1        2.407   1.881   2.399  0.00  0.00    -0.317 N 
ATOM     33  H   LIG    1        1.548   1.507   2.800  0.00  0.00    +0.148 HD
ATOM     34  C   LIG    1        2.358   2.244   1.068  0.00  0.00    +0.230 C 
ATOM     35  O   LIG    1        3.277   2.816   0.484  0.00  0.00    -0.274 OA
ENDBRANCH   1  34
TORSDOF 2