REMARK  Name = BDB049238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.471   1.137  -0.210  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -1.168  -0.013   0.793  0.00  0.00    +0.051 C 
ATOM      3  C   LIG    1        0.365   0.032   0.974  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1        0.861   0.844  -0.147  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1       -0.138   1.909  -0.290  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.712  -1.351   0.316  0.00  0.00    -0.042 A 
ATOM      7  C   LIG    1       -2.916  -1.835   0.850  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -3.447  -3.054   0.423  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.787  -3.801  -0.549  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -1.599  -3.327  -1.100  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -1.067  -2.108  -0.674  0.00  0.00    +0.004 A 
ENDBRANCH   2   6
BRANCH   1  13
ATOM     12  C   LIG    1       -2.615   2.771   1.262  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1       -2.703   1.906   0.087  0.00  0.00    -0.304 NA
ATOM     14  C   LIG    1       -3.128   2.686  -1.077  0.00  0.00    +0.104 C 
ENDBRANCH   1  13
BRANCH   4  15
ATOM     15  C   LIG    1        2.215   1.370   0.046  0.00  0.00    +0.123 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.278   0.304  -0.080  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        3.961  -0.266   1.006  0.00  0.00    +0.025 A 
ATOM     18 BR   LIG    1        3.662   0.266   2.807  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        4.920  -1.269   0.802  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        5.215  -1.717  -0.485  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        4.553  -1.158  -1.572  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        3.601  -0.163  -1.363  0.00  0.00    +0.129 A 
ATOM     23  F   LIG    1        2.997   0.364  -2.439  0.00  0.00    -0.205 F 
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 4