REMARK  Name = BDB050539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.940   1.863   0.316  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -1.206   0.555   0.313  0.00  0.00    +0.144 C 
ATOM      3  N   LIG    1        0.022   0.928  -0.374  0.00  0.00    -0.283 N 
ATOM      4  C   LIG    1        0.041   2.262  -0.709  0.00  0.00    +0.282 C 
ATOM      5  O   LIG    1        0.933   2.920  -1.211  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1       -1.257   2.836  -0.293  0.00  0.00    +0.188 C 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.944  -0.565  -0.400  0.00  0.00    -0.022 A 
ATOM      8  C   LIG    1       -2.043  -0.621  -1.802  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -2.739  -1.658  -2.430  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.352  -2.644  -1.661  0.00  0.00    +0.018 A 
ATOM     11 BR   LIG    1       -4.295  -4.044  -2.510  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -3.278  -2.602  -0.272  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -2.580  -1.566   0.354  0.00  0.00    +0.007 A 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1       -4.106   3.183   0.766  0.00  0.00    +0.091 C 
ATOM     15  C   LIG    1       -3.222   1.994   1.032  0.00  0.00    +0.162 C 
ATOM     16  O   LIG    1       -3.534   1.139   1.862  0.00  0.00    -0.292 OA
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  O   LIG    1       -1.565   4.156  -0.437  0.00  0.00    -0.502 OA
ATOM     18  H   LIG    1       -0.783   4.560  -0.871  0.00  0.00    +0.292 HD
ENDBRANCH   6  17
BRANCH   3  19
ATOM     19  C   LIG    1        1.200   0.076  -0.411  0.00  0.00    +0.114 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.053   0.210   0.854  0.00  0.00    +0.054 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.284  -0.660   0.794  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1        4.469  -0.171   0.223  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        5.610  -0.979   0.148  0.00  0.00    +0.060 A 
ATOM     24 CL   LIG    1        7.029  -0.300  -0.568  0.00  0.00    -0.082 Cl
ATOM     25  C   LIG    1        5.571  -2.286   0.641  0.00  0.00    +0.059 A 
ATOM     26 CL   LIG    1        6.937  -3.342   0.583  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        4.391  -2.780   1.205  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        3.253  -1.973   1.279  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6