REMARK  Name = BDB019690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.932   0.333   0.143  0.00  0.00    +0.072 A 
ATOM      2  N   LIG    1        0.331   0.476  -0.319  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1        0.994  -0.661  -0.668  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        0.457  -1.938  -0.570  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -0.845  -2.077  -0.084  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -1.536  -0.916   0.290  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.483   1.236  -1.208  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.819   2.014  -0.101  0.00  0.00    -0.039 A 
ATOM      9  C   LIG    1       -1.616   1.582   0.512  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -1.045   2.391   1.518  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -1.655   3.575   1.932  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -2.846   3.967   1.341  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1       -3.441   5.098   1.740  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -3.430   3.203   0.337  0.00  0.00    +0.042 A 
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        2.391  -0.474  -1.174  0.00  0.00    +0.263 C 
ATOM     16  N   LIG    1        2.781   0.842  -1.278  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        2.118   1.531  -0.930  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        3.106  -1.431  -1.449  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  C   LIG    1        4.130   1.237  -1.586  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.900   1.529  -0.323  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        5.493   0.481   0.400  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        6.180   0.734   1.592  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        6.879  -0.612   2.421  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        6.276   2.043   2.074  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        7.106   2.436   3.538  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        5.683   3.091   1.363  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        4.995   2.835   0.174  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1       -1.477  -3.441   0.041  0.00  0.00    +0.158 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.689  -3.547  -0.757  0.00  0.00    -0.330 N 
ATOM     30  C   LIG    1       -3.984  -3.648  -0.299  0.00  0.00    +0.107 A 
ATOM     31  C   LIG    1       -4.369  -3.681   1.136  0.00  0.00    +0.086 C 
ATOM     32  N   LIG    1       -4.826  -3.711  -1.312  0.00  0.00    -0.241 NA
ATOM     33  C   LIG    1       -4.060  -3.681  -2.446  0.00  0.00    +0.130 A 
ATOM     34  C   LIG    1       -2.728  -3.589  -2.127  0.00  0.00    +0.107 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6