REMARK  Name = BDB044035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.065   0.186   0.213  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -0.190  -0.398   0.294  0.00  0.00    +0.136 A 
ATOM      3  O   LIG    1       -0.489  -1.589   0.907  0.00  0.00    -0.491 OA
ATOM      4  C   LIG    1       -1.932  -1.596   0.975  0.00  0.00    +0.234 C 
ATOM      5  C   LIG    1       -2.478  -0.695  -0.131  0.00  0.00    +0.080 C 
ATOM      6  C   LIG    1       -1.297   0.180  -0.318  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1       -1.189   1.361  -1.032  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        0.068   1.966  -1.108  0.00  0.00    +0.019 A 
ATOM      9 BR   LIG    1        0.261   3.589  -2.062  0.00  0.00    -0.050 Br
ATOM     10  C   LIG    1        1.191   1.392  -0.494  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        3.419  -0.369   0.188  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.184  -0.896   0.591  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        3.445  -0.194  -0.806  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        2.239  -0.418   0.881  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1        2.180  -0.932   1.988  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
TORSDOF 1