REMARK  Name = BDB044085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.317  -0.883  -1.873  0.00  0.00    -0.294 NA
ATOM      2  H   LIG    1       -0.481   0.074  -2.213  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   1   4
ATOM      3  CB  LIG    1        1.752  -2.155  -2.193  0.00  0.00    +0.034 C 
ATOM      4  CA  LIG    1        1.108  -0.973  -1.476  0.00  0.00    +0.138 C 
BRANCH   4   5
ATOM      5  C   LIG    1        1.842   0.327  -1.901  0.00  0.00    +0.233 C 
ATOM      6  N   LIG    1        2.897   0.769  -1.131  0.00  0.00    -0.287 N 
ATOM      7  CA  LIG    1        3.300   0.328   0.208  0.00  0.00    +0.184 C 
ATOM      8  CB  LIG    1        4.682   0.970   0.423  0.00  0.00    +0.035 C 
ATOM      9  CG  LIG    1        5.064   1.567  -0.929  0.00  0.00    +0.021 C 
ATOM     10  CD  LIG    1        3.728   1.868  -1.579  0.00  0.00    +0.109 C 
ATOM     11  O   LIG    1        1.513   0.925  -2.930  0.00  0.00    -0.274 OA
BRANCH   7  12
ATOM     12  C   LIG    1        2.350   0.846   1.308  0.00  0.00    +0.325 C 
ATOM     13  O   LIG    1        1.445   1.653   1.141  0.00  0.00    -0.249 OA
BRANCH  12  14
ATOM     14  OXT LIG    1        2.620   0.328   2.530  0.00  0.00    -0.479 OA
ATOM     15  HXT LIG    1        3.328  -0.342   2.559  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH   7  12
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  CA  LIG    1       -1.267  -1.137  -0.753  0.00  0.00    +0.164 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.946  -0.228   0.436  0.00  0.00    +0.322 C 
ATOM     18  O   LIG    1       -0.561  -0.627   1.526  0.00  0.00    -0.249 OA
BRANCH  17  19
ATOM     19  OXT LIG    1       -0.928   1.081   0.109  0.00  0.00    -0.480 OA
ATOM     20  HXT LIG    1       -0.385   1.512   0.815  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
BRANCH  16  21
ATOM     21  C   LIG    1       -2.697  -0.936  -1.279  0.00  0.00    +0.035 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.789  -1.471  -0.341  0.00  0.00    +0.037 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.061  -0.619   0.872  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1       -3.808  -1.109   2.159  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -4.058  -0.318   3.281  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.571   0.969   3.129  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.836   1.464   1.855  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.585   0.674   0.732  0.00  0.00    +0.003 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 10