REMARK  Name = BDB038867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -1.230   2.631  -0.106  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1        0.023   2.110  -0.086  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1        0.198   0.765  -0.031  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -0.941  -0.045   0.047  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1       -1.066  -1.411   0.177  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1       -0.287  -2.050   0.255  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.387  -1.788   0.203  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -3.145  -0.623   0.111  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.551  -0.732   0.124  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -5.142  -1.996   0.226  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.355  -3.142   0.316  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.960  -3.061   0.307  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -2.233   0.477   0.028  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.392   1.867  -0.061  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1        1.568   0.252  -0.031  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        2.517   0.776   0.868  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        3.834   0.275   0.890  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.182  -0.735  -0.005  0.00  0.00    +0.046 A 
ATOM     19  N   LIG    1        5.508  -1.032   0.216  0.00  0.00    -0.361 N 
ATOM     20  H   LIG    1        6.035  -1.724  -0.298  0.00  0.00    +0.165 HD
ATOM     21  C   LIG    1        6.007  -0.249   1.223  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1        3.278  -1.268  -0.927  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        4.993   0.573   1.658  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        1.974  -0.754  -0.924  0.00  0.00    +0.012 A 
ENDBRANCH   3  15
BRANCH   1  26
ATOM     25  O   LIG    1       -0.362   4.907  -0.197  0.00  0.00    -0.243 OA
ATOM     26  C   LIG    1       -1.297   4.126  -0.178  0.00  0.00    +0.355 C 
BRANCH  26  27
ATOM     27  OXT LIG    1       -2.564   4.595  -0.224  0.00  0.00    -0.476 OA
ATOM     28  HXT LIG    1       -2.433   5.567  -0.270  0.00  0.00    +0.295 HD
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 3