REMARK  Name = BDB055739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.697  -2.793  -1.862  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.811  -2.004  -1.557  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1       -5.045  -0.867  -0.628  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.981  -0.048  -0.212  0.00  0.00    -0.013 A 
ATOM      5  C   LIG    1       -4.227   0.958   0.737  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -3.052   1.749   1.232  0.00  0.00    +0.051 C 
ATOM      7  C   LIG    1       -2.090   2.047   0.076  0.00  0.00    +0.090 C 
ATOM      8  N   LIG    1       -1.740   0.927  -0.812  0.00  0.00    -0.285 NA
ATOM      9  C   LIG    1       -5.518   1.161   1.235  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -6.573   0.366   0.789  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.552  -0.304  -0.674  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -2.608  -1.038  -2.039  0.00  0.00    +0.128 C 
ATOM     13  C   LIG    1       -6.338  -0.651  -0.136  0.00  0.00    +0.013 A 
ATOM     14  N   LIG    1       -3.540  -2.143  -2.057  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -3.467  -2.847  -2.782  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   8  16
ATOM     16  C   LIG    1       -0.282   0.690  -0.877  0.00  0.00    +0.181 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.367   0.230   0.443  0.00  0.00    +0.230 C 
ATOM     18  N   LIG    1        1.741   0.098   0.418  0.00  0.00    -0.299 N 
ATOM     19  C   LIG    1        2.490  -0.295   1.616  0.00  0.00    +0.126 C 
ATOM     20  C   LIG    1        3.937   0.061   1.257  0.00  0.00    +0.075 C 
ATOM     21  C   LIG    1        3.956  -0.256  -0.243  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1        5.238   0.259  -0.872  0.00  0.00    +0.008 C 
ATOM     23  C   LIG    1        6.426  -0.361  -0.124  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1        6.315  -0.186   1.399  0.00  0.00    +0.081 C 
ATOM     25  N   LIG    1        5.023  -0.631   1.947  0.00  0.00    -0.311 NA
ATOM     26  H   LIG    1        4.932  -1.638   1.810  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1        2.640   0.348  -0.710  0.00  0.00    +0.113 C 
ATOM     28  O   LIG    1       -0.275  -0.011   1.465  0.00  0.00    -0.274 OA
ENDBRANCH  16  17
ENDBRANCH   8  16
TORSDOF 2