REMARK  Name = BDB055653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.458  -2.517   1.376  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.097  -1.578   0.937  0.00  0.00    +0.251 C 
ATOM      3  C   LIG    1        1.562  -0.332   0.270  0.00  0.00    +0.071 C 
ATOM      4  C   LIG    1        0.231  -0.207   0.150  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.518   0.926  -0.527  0.00  0.00    +0.210 C 
ATOM      6  O   LIG    1       -0.109   1.960  -1.009  0.00  0.00    -0.285 OA
ATOM      7  C   LIG    1       -1.937   0.524  -0.502  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -1.996  -0.715   0.144  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -3.211  -1.332   0.344  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -4.362  -0.692  -0.143  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1       -4.283   0.543  -0.829  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1       -3.049   1.172  -1.007  0.00  0.00    +0.014 A 
ATOM     13  N   LIG    1       -0.742  -1.101   0.589  0.00  0.00    -0.310 N 
ATOM     14  H   LIG    1       -0.478  -2.036   0.890  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1        2.732   0.475  -0.113  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        3.857  -0.247   0.315  0.00  0.00    +0.056 A 
ATOM     17  C   LIG    1        5.153   0.206   0.126  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        5.334   1.430  -0.514  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        4.220   2.166  -0.948  0.00  0.00    +0.002 A 
ATOM     20 BR   LIG    1        6.650  -0.785   0.710  0.00  0.00    -0.048 Br
ATOM     21  C   LIG    1        2.916   1.691  -0.748  0.00  0.00    +0.010 A 
ATOM     22  N   LIG    1        3.468  -1.439   0.927  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1        4.101  -2.128   1.306  0.00  0.00    +0.155 HD
ENDROOT
BRANCH  10  24
ATOM     24  C   LIG    1       -5.665  -1.365   0.055  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1       -5.818  -2.565  -0.079  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -6.644  -0.519   0.436  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1       -6.345   0.380   0.670  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  10  24
TORSDOF 2