REMARK  Name = BDB019789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.647  -1.212  -0.629  0.00  0.00    +0.072 A 
ATOM      2  N   LIG    1        0.691  -1.018  -0.667  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1        1.129   0.235  -0.973  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        0.292   1.309  -1.241  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -1.086   1.100  -1.201  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.555  -0.185  -0.890  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        0.202  -3.612  -2.226  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.697  -3.715  -1.022  0.00  0.00    -0.039 A 
ATOM      9  C   LIG    1       -1.089  -2.573  -0.278  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -1.928  -2.758   0.842  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -2.362  -4.028   1.223  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -1.959  -5.132   0.490  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1       -2.368  -6.354   0.855  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -1.133  -4.990  -0.618  0.00  0.00    +0.042 A 
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        2.616   0.418  -1.002  0.00  0.00    +0.263 C 
ATOM     16  N   LIG    1        3.328  -0.723  -0.702  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        2.776  -1.522  -0.401  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        3.124   1.502  -1.264  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  C   LIG    1        4.755  -0.724  -0.513  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.101  -0.579   0.947  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        5.168   0.696   1.533  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        5.460   0.842   2.893  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        5.526   2.445   3.534  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        5.683  -0.291   3.682  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        6.050  -0.191   5.367  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        5.609  -1.563   3.107  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        5.316  -1.707   1.749  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1       -2.053   2.221  -1.483  0.00  0.00    +0.138 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.848   2.479  -0.308  0.00  0.00    -0.329 N 
ATOM     30  H   LIG    1       -2.346   2.455   0.575  0.00  0.00    +0.147 HD
BRANCH  29  31
ATOM     31  C   LIG    1       -3.912   3.329  -0.265  0.00  0.00    +0.090 C 
ATOM     32  C   LIG    1       -4.679   3.749  -1.487  0.00  0.00    +0.073 C 
ATOM     33  C   LIG    1       -5.370   4.973  -0.939  0.00  0.00    +0.031 C 
ATOM     34  C   LIG    1       -5.508   4.642   0.534  0.00  0.00    +0.143 C 
ATOM     35  N   LIG    1       -4.336   3.810   0.866  0.00  0.00    -0.273 NA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7