REMARK  Name = BDB057981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.646   1.260  -0.345  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1       -2.850  -0.105  -0.087  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -1.745  -0.965   0.054  0.00  0.00    +0.014 A 
ATOM      4  C   LIG    1       -0.415  -0.505  -0.053  0.00  0.00    -0.025 A 
ATOM      5  C   LIG    1        0.759  -1.496   0.107  0.00  0.00    +0.031 C 
ATOM      6  C   LIG    1        2.077  -0.775  -0.043  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        2.260   0.571  -0.287  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.143   1.480  -0.434  0.00  0.00    +0.196 C 
ATOM      9  O   LIG    1        1.284   2.679  -0.650  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1        3.662   0.812  -0.352  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.299  -0.412  -0.142  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        5.694  -0.548  -0.138  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1        6.463   0.605  -0.356  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1        5.851   1.842  -0.569  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        4.455   1.957  -0.569  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1        3.316  -1.359   0.042  0.00  0.00    -0.357 N 
ATOM     17  H   LIG    1        3.494  -2.340   0.214  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1        0.703  -2.144   1.507  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        0.664  -2.590  -0.980  0.00  0.00    +0.022 C 
ATOM     20  C   LIG    1       -0.221   0.872  -0.306  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -1.325   1.731  -0.446  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   2  22
ATOM     22  C   LIG    1       -4.172  -0.679   0.036  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -4.724  -1.117   1.219  0.00  0.00    +0.113 A 
ATOM     24  N   LIG    1       -5.965  -1.590   0.903  0.00  0.00    -0.284 N 
ATOM     25  H   LIG    1       -6.664  -1.983   1.524  0.00  0.00    +0.188 HD
ATOM     26  N   LIG    1       -6.251  -1.510  -0.408  0.00  0.00    -0.182 NA
ATOM     27  C   LIG    1       -5.156  -0.955  -0.936  0.00  0.00    +0.142 A 
ENDBRANCH   2  22
BRANCH   1  29
ATOM     28  C   LIG    1       -4.193   2.822   0.879  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -3.773   2.260  -0.472  0.00  0.00    +0.032 C 
ENDBRANCH   1  29
BRANCH  13  30
ATOM     30  C   LIG    1        7.895   0.507  -0.360  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1        9.052   0.419  -0.361  0.00  0.00    -0.191 NA
ENDBRANCH  13  30
TORSDOF 3