REMARK  Name = BDB063105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.511  -2.017   2.394  0.00  0.00    -0.284 OA
ATOM      2  C   LIG    1       -0.462  -0.851   2.034  0.00  0.00    +0.224 A 
ATOM      3  C   LIG    1       -1.427  -0.437   0.949  0.00  0.00    +0.097 A 
ATOM      4  N   LIG    1       -1.790  -1.148  -0.150  0.00  0.00    -0.351 N 
ATOM      5  H   LIG    1       -1.456  -2.078  -0.356  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1       -2.656  -0.399  -0.921  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -2.820   0.835  -0.276  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.659   1.799  -0.872  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -4.303   1.501  -2.079  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.121   0.264  -2.695  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.293  -0.710  -2.129  0.00  0.00    +0.026 A 
ATOM     12  C   LIG    1       -2.029   0.785   0.902  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -1.847   1.888   1.967  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -0.794   1.996   2.807  0.00  0.00    +0.112 A 
ATOM     15  N   LIG    1        0.357   1.345   3.107  0.00  0.00    -0.256 NA
ATOM     16  C   LIG    1        0.577   0.091   2.651  0.00  0.00    +0.094 A 
ENDROOT
BRANCH  16  17
ATOM     17  C   LIG    1        1.978  -0.443   2.785  0.00  0.00    +0.096 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.542  -1.029   1.513  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1        2.589  -0.419   0.214  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        3.200  -1.323  -0.657  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        3.401  -1.049  -2.016  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        2.957   0.184  -2.502  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        2.337   1.105  -1.660  0.00  0.00    +0.001 A 
ATOM     24  N   LIG    1        3.513  -2.439   0.082  0.00  0.00    -0.360 N 
ATOM     25  H   LIG    1        3.956  -3.265  -0.291  0.00  0.00    +0.165 HD
ATOM     26  C   LIG    1        2.150   0.816  -0.304  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        3.128  -2.275   1.382  0.00  0.00    +0.087 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
TORSDOF 2