REMARK  Name = BDB032946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.182  -0.129  -0.520  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        0.998  -0.579   0.049  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1        0.940  -1.416   0.617  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.354   0.960  -1.061  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.659  -0.530  -0.198  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.355  -1.050  -0.378  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -1.149  -2.441  -0.430  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.218  -3.317  -0.258  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.495  -2.811  -0.040  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.715  -1.430  -0.015  0.00  0.00    +0.024 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -3.825   3.067  -0.209  0.00  0.00    +0.109 C 
ATOM     12  C   LIG    1       -4.023   1.583  -0.027  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -2.856   0.873  -0.222  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -2.027   1.414  -0.480  0.00  0.00    +0.155 HD
ATOM     15  O   LIG    1       -5.127   1.125   0.248  0.00  0.00    -0.276 OA
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   2  16
ATOM     16  C   LIG    1        2.257   0.058   0.024  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        3.285  -0.529   0.772  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1        4.564   0.050   0.785  0.00  0.00    +0.128 A 
ATOM     19  C   LIG    1        4.831   1.211   0.054  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        3.809   1.790  -0.695  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.533   1.215  -0.711  0.00  0.00    +0.023 A 
BRANCH  18  22
ATOM     22  N   LIG    1        5.632  -0.574   1.575  0.00  0.00    +0.056 N 
ATOM     23  O   LIG    1        6.741  -0.023   1.584  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        5.360  -1.618   2.186  0.00  0.00    -0.126 OA
ENDBRANCH  18  22
ENDBRANCH   2  16
TORSDOF 4