REMARK  Name = BDB055940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.364  -0.010  -0.529  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -4.143  -0.131  -0.533  0.00  0.00    +0.258 A 
ATOM      3  C   LIG    1       -3.269   0.793   0.232  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -1.870   0.606   0.228  0.00  0.00    -0.000 A 
ATOM      5  C   LIG    1       -1.113   1.604   0.869  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.713   2.683   1.533  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.096   2.810   1.560  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.296  -0.577  -0.475  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -2.163  -1.367  -1.250  0.00  0.00    +0.143 A 
ATOM     10  N   LIG    1       -1.807  -2.440  -1.990  0.00  0.00    -0.237 NA
ATOM     11  C   LIG    1       -0.516  -2.799  -1.953  0.00  0.00    +0.115 A 
ATOM     12  C   LIG    1        0.428  -2.143  -1.192  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1        0.051  -1.011  -0.446  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -3.877   1.870   0.899  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -3.527  -1.107  -1.258  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1       -4.103  -1.736  -1.797  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  13  17
ATOM     17  N   LIG    1        0.998  -0.447   0.455  0.00  0.00    -0.314 N 
ATOM     18  H   LIG    1        0.790  -0.773   1.398  0.00  0.00    +0.152 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.392  -0.297   0.259  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        2.936  -0.022  -1.002  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        4.309   0.178  -1.163  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.155   0.130  -0.058  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.625  -0.105   1.208  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.251  -0.305   1.367  0.00  0.00    +0.023 A 
ENDBRANCH  17  19
ENDBRANCH  13  17
TORSDOF 2