REMARK  Name = BDB038860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -0.117   2.500  -0.836  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1        0.999   1.750  -0.652  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1        0.891   0.446  -0.292  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -0.390  -0.071  -0.069  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1       -0.800  -1.311   0.372  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1       -0.175  -2.062   0.627  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -2.170  -1.389   0.435  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -2.667  -0.146   0.048  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.064   0.046   0.035  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -4.907  -1.009   0.404  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -4.378  -2.240   0.785  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.997  -2.454   0.810  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -1.545   0.689  -0.253  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -1.411   2.024  -0.663  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1        2.132  -0.316  -0.131  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        3.223   0.247   0.555  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        4.404  -0.473   0.720  0.00  0.00    +0.117 A 
ATOM     18  C   LIG    1        4.534  -1.756   0.207  0.00  0.00    +0.045 A 
ATOM     19  C   LIG    1        3.476  -2.324  -0.497  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        2.288  -1.607  -0.670  0.00  0.00    +0.010 A 
BRANCH  17  21
ATOM     21  O   LIG    1        5.470   0.058   1.384  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1        5.270   0.986   1.591  0.00  0.00    +0.292 HD
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  24
ATOM     23  O   LIG    1        1.211   4.471  -1.368  0.00  0.00    -0.243 OA
ATOM     24  C   LIG    1        0.132   3.921  -1.240  0.00  0.00    +0.355 C 
BRANCH  24  25
ATOM     25  OXT LIG    1       -1.007   4.612  -1.469  0.00  0.00    -0.476 OA
ATOM     26  HXT LIG    1       -0.677   5.501  -1.723  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 4