REMARK  Name = BDB049177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.954   0.093   3.988  0.00  0.00    +0.105 C 
ATOM      2  N   LIG    1       -1.431  -0.663   2.836  0.00  0.00    -0.303 NA
ATOM      3  C   LIG    1       -1.782   0.215   1.712  0.00  0.00    +0.092 C 
ATOM      4  C   LIG    1       -2.042  -0.574   0.413  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -0.839  -1.443  -0.009  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1        0.167  -1.701   1.121  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1       -0.557  -1.795   2.486  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.496   0.337  -0.717  0.00  0.00    -0.043 A 
ATOM      9  C   LIG    1       -3.763   0.161  -1.293  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -4.194   0.990  -2.330  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.366   2.004  -2.806  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.105   2.190  -2.245  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -1.672   1.363  -1.207  0.00  0.00    +0.004 A 
ENDBRANCH   4   8
BRANCH   6  14
ATOM     14  N   LIG    1        1.191  -0.654   1.172  0.00  0.00    -0.338 N 
ATOM     15  H   LIG    1        0.946   0.141   1.763  0.00  0.00    +0.146 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.176  -0.352   0.235  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        2.826   0.821   0.130  0.00  0.00    +0.106 A 
ATOM     18 BR   LIG    1        2.437   2.260   1.278  0.00  0.00    -0.043 Br
ATOM     19  C   LIG    1        3.868   1.049  -0.920  0.00  0.00    +0.283 A 
ATOM     20  O   LIG    1        4.420   2.143  -1.036  0.00  0.00    -0.265 OA
ATOM     21  N   LIG    1        4.156  -0.038  -1.738  0.00  0.00    -0.232 N 
ATOM     22  C   LIG    1        5.132   0.092  -2.805  0.00  0.00    +0.176 C 
ATOM     23  N   LIG    1        3.506  -1.241  -1.671  0.00  0.00    -0.175 NA
ATOM     24  C   LIG    1        2.602  -1.371  -0.757  0.00  0.00    +0.157 A 
ENDBRANCH  14  16
ENDBRANCH   6  14
TORSDOF 3