REMARK  Name = BDB060786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.148   0.091   0.714  0.00  0.00    +0.103 C 
ATOM      2  C   LIG    1       -0.792  -1.004   1.242  0.00  0.00    +0.135 C 
ATOM      3  C   LIG    1       -1.933  -1.515   0.388  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -3.142  -1.301   1.057  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -4.366  -1.669   0.536  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -4.372  -2.287  -0.716  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -3.166  -2.522  -1.397  0.00  0.00    +0.018 A 
ATOM      8 BR   LIG    1       -3.206  -3.370  -3.087  0.00  0.00    -0.050 Br
ATOM      9  N   LIG    1       -2.918  -0.696   2.281  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1       -3.624  -0.448   2.958  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -1.935  -2.144  -0.849  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -1.565  -0.468   2.497  0.00  0.00    +0.243 C 
ATOM     13  O   LIG    1       -1.100   0.070   3.489  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        0.104  -2.113   1.656  0.00  0.00    -0.288 NA
ATOM     15  H   LIG    1       -0.315  -3.022   1.449  0.00  0.00    +0.124 HD
ATOM     16  C   LIG    1        1.420  -1.941   0.959  0.00  0.00    +0.168 C 
ATOM     17  C   LIG    1        1.257  -0.721   0.027  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   1  21
ATOM     18  C   LIG    1       -1.848   4.144  -1.758  0.00  0.00    +0.071 C 
ATOM     19  C   LIG    1       -1.352   2.828  -1.287  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -0.714   2.487  -0.067  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -0.473   1.131  -0.162  0.00  0.00    +0.174 A 
ATOM     22  O   LIG    1       -0.910   0.707  -1.381  0.00  0.00    -0.357 OA
ATOM     23  N   LIG    1       -1.473   1.753  -2.075  0.00  0.00    -0.081 NA
BRANCH  20  24
ATOM     24  N   LIG    1       -0.386   3.356   1.017  0.00  0.00    +0.062 N 
ATOM     25  O   LIG    1        0.493   2.984   1.801  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1       -1.004   4.425   1.082  0.00  0.00    -0.126 OA
ENDBRANCH  20  24
ENDBRANCH   1  21
BRANCH  17  27
ATOM     27  C   LIG    1        2.529   0.069  -0.213  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        3.240   0.675   0.834  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.400   1.408   0.577  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.867   1.543  -0.728  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.173   0.948  -1.777  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.011   0.217  -1.523  0.00  0.00    +0.004 A 
ENDBRANCH  17  27
BRANCH  16  33
ATOM     33  C   LIG    1        1.948  -3.169   0.186  0.00  0.00    +0.405 C 
ATOM     34  F   LIG    1        2.061  -4.241   1.003  0.00  0.00    -0.169 F 
ATOM     35  F   LIG    1        3.157  -2.946  -0.366  0.00  0.00    -0.169 F 
ATOM     36  F   LIG    1        1.095  -3.512  -0.808  0.00  0.00    -0.169 F 
ENDBRANCH  16  33
TORSDOF 4