REMARK  Name = BDB016231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.454  -1.936  -0.795  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1       -2.356  -0.651  -0.208  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.276   0.193  -0.520  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1       -0.251  -0.229  -1.378  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -0.333  -1.510  -1.932  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.410  -2.351  -1.635  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.885   0.660  -1.688  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1        1.962   0.892  -0.767  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        1.926   0.096   0.524  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1        3.207  -0.017   1.347  0.00  0.00    -0.001 C 
ATOM     11  C   LIG    1        3.568   1.347   1.905  0.00  0.00    +0.099 C 
ATOM     12  C   LIG    1        4.413   2.118   0.941  0.00  0.00    +0.217 C 
ATOM     13  N   LIG    1        4.055   2.254  -0.358  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1        4.717   2.864  -0.825  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1        5.435   2.694   1.325  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1        2.997  -1.015   2.492  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1        2.965   1.813  -1.129  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        2.922   2.410  -2.407  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        1.895   2.155  -3.308  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        0.875   1.294  -2.943  0.00  0.00    +0.009 A 
ENDBRANCH   4   7
BRANCH   1  22
ATOM     21  C   LIG    1       -4.023  -3.695  -1.464  0.00  0.00    +0.125 C 
ATOM     22  N   LIG    1       -3.490  -2.824  -0.429  0.00  0.00    -0.346 N 
ATOM     23  H   LIG    1       -4.243  -2.262   0.005  0.00  0.00    +0.146 HD
ENDBRANCH   1  22
BRANCH   2  24
ATOM     24  C   LIG    1       -3.405  -0.150   0.728  0.00  0.00    +0.044 C 
ATOM     25  N   LIG    1       -4.621  -0.604   0.715  0.00  0.00    -0.303 NA
ATOM     26  H   LIG    1       -5.184  -0.122   1.425  0.00  0.00    +0.186 HD
BRANCH  24  27
ATOM     27  C   LIG    1       -3.083   0.921   1.711  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1       -3.424   0.733   3.174  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -1.992   0.716   2.738  0.00  0.00    +0.010 C 
ENDBRANCH  24  27
ENDBRANCH   2  24
TORSDOF 4