REMARK  Name = BDB038861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.330  -0.944   0.427  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -1.302  -0.052   0.896  0.00  0.00    +0.074 A 
ATOM      3  N   LIG    1       -1.375   1.322   0.815  0.00  0.00    -0.352 N 
ATOM      4  H   LIG    1       -0.688   1.908   0.362  0.00  0.00    +0.166 HD
ATOM      5  C   LIG    1       -2.512   1.796   1.423  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -3.214   0.690   1.897  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -4.438   0.903   2.564  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -4.910   2.209   2.733  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.185   3.295   2.247  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.970   3.109   1.581  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -2.457  -0.476   1.555  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -2.656  -1.849   1.749  0.00  0.00    +0.045 A 
ATOM     13  CA  LIG    1       -1.670  -2.682   1.246  0.00  0.00    +0.149 A 
ATOM     14  N   LIG    1       -0.540  -2.275   0.598  0.00  0.00    -0.238 NA
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        3.270   0.229  -1.599  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        2.411  -0.717  -2.167  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        1.241  -1.096  -1.498  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        0.897  -0.537  -0.256  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        1.776   0.403   0.309  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1        2.947   0.785  -0.355  0.00  0.00    +0.015 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.526   0.673  -2.263  0.00  0.00    +0.339 C 
ATOM     22  O   LIG    1        5.267   1.524  -1.797  0.00  0.00    -0.245 OA
BRANCH  21  24
ATOM     23  C   LIG    1        5.906   0.379  -4.123  0.00  0.00    +0.280 C 
ATOM     24  O   LIG    1        4.713   0.008  -3.430  0.00  0.00    -0.464 OA
ENDBRANCH  21  24
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH  13  25
ATOM     25  C   LIG    1       -1.800  -4.161   1.399  0.00  0.00    +0.355 C 
ATOM     26  O   LIG    1       -2.737  -4.733   1.927  0.00  0.00    -0.243 OA
BRANCH  25  27
ATOM     27  OXT LIG    1       -0.721  -4.785   0.864  0.00  0.00    -0.476 OA
ATOM     28  HXT LIG    1       -0.107  -4.097   0.510  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  13  25
TORSDOF 5