REMARK  Name = BDB002125
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.474   0.755  -0.448  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1       -1.126   0.626  -1.691  0.00  0.00    +0.148 A 
ATOM      3  C   LIG    1       -2.352  -0.053  -1.836  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1       -2.922  -0.647  -0.686  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1       -4.122  -1.383  -0.843  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -4.765  -1.493  -2.077  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.227  -0.868  -3.190  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.268  -0.488   0.572  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1       -3.034  -0.156  -3.072  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -1.050   0.205   0.724  0.00  0.00    +0.095 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        0.791   1.432  -0.420  0.00  0.00    -0.310 N 
ATOM     12  H   LIG    1        0.831   2.010  -1.264  0.00  0.00    +0.152 HD
BRANCH  11  17
ATOM     13  C   LIG    1        6.039  -0.758   0.408  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        4.663  -0.196   0.215  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        4.486   1.143  -0.143  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        3.201   1.655  -0.351  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        2.067   0.839  -0.230  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        2.253  -0.497   0.134  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        3.537  -1.014   0.343  0.00  0.00    +0.005 A 
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1       -0.482   1.188  -2.776  0.00  0.00    -0.504 OA
ATOM     21  H   LIG    1       -0.580   0.561  -3.513  0.00  0.00    +0.292 HD
ENDBRANCH   2  20
BRANCH   8  22
ATOM     22  O   LIG    1       -2.898  -0.986   1.695  0.00  0.00    -0.504 OA
ATOM     23  H   LIG    1       -3.823  -0.696   1.623  0.00  0.00    +0.292 HD
ENDBRANCH   8  22
BRANCH  10  24
ATOM     24  N   LIG    1       -0.320   0.327   1.916  0.00  0.00    -0.333 N 
ATOM     25  H   LIG    1        0.267   1.162   1.856  0.00  0.00    +0.147 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -0.861   0.082   3.242  0.00  0.00    +0.172 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -1.927   1.073   3.669  0.00  0.00    +0.241 C 
ATOM     28  O   LIG    1       -2.177   2.150   3.134  0.00  0.00    -0.299 OA
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  10  24
TORSDOF 7