REMARK  Name = BDB029524
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.023  -1.985  -0.041  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        1.057  -1.258   0.465  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        2.194  -2.016   0.983  0.00  0.00    +0.110 C 
ATOM      4  C   LIG    1        3.019  -1.184   1.955  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1        3.551   0.079   1.272  0.00  0.00    +0.115 C 
ATOM      6  C   LIG    1        4.993  -0.154   0.778  0.00  0.00    +0.244 C 
ATOM      7  O   LIG    1        5.344  -0.981  -0.050  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        5.825   0.708   1.419  0.00  0.00    -0.238 N 
ATOM      9  H   LIG    1        6.822   0.746   1.293  0.00  0.00    +0.159 HD
ATOM     10  C   LIG    1        5.147   1.459   2.314  0.00  0.00    +0.307 C 
ATOM     11  O   LIG    1        5.621   2.287   3.070  0.00  0.00    -0.252 OA
ATOM     12  N   LIG    1        3.817   1.126   2.243  0.00  0.00    -0.285 N 
ATOM     13  H   LIG    1        3.142   1.561   2.860  0.00  0.00    +0.151 HD
ATOM     14  C   LIG    1        2.681   0.583   0.116  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1        1.221   0.190   0.308  0.00  0.00    +0.110 C 
ATOM     16  O   LIG    1       -0.017  -3.209  -0.151  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1       -3.583   0.042  -1.306  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1       -2.936  -0.873  -2.149  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -1.774  -1.529  -1.732  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1       -1.243  -1.263  -0.468  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -1.897  -0.378   0.391  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1       -3.058   0.279  -0.033  0.00  0.00    +0.024 A 
BRANCH  17  25
ATOM     23  C   LIG    1       -6.706   2.038  -2.018  0.00  0.00    +0.109 C 
ATOM     24  C   LIG    1       -5.520   1.625  -1.181  0.00  0.00    +0.214 C 
ATOM     25  N   LIG    1       -4.748   0.662  -1.804  0.00  0.00    -0.286 N 
ATOM     26  H   LIG    1       -5.037   0.378  -2.732  0.00  0.00    +0.155 HD
ATOM     27  O   LIG    1       -5.308   2.151  -0.095  0.00  0.00    -0.276 OA
ENDBRANCH  17  25
ENDBRANCH   1  20
TORSDOF 2