REMARK  Name = BDB028337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.447   1.312   0.951  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -1.378   0.439   0.363  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.394   0.937  -0.463  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.482   2.307  -0.693  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.552   2.822  -1.563  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.403   1.884  -2.093  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.148   2.221  -2.695  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.343   0.540  -1.890  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.665   4.020  -1.793  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.567   3.187  -0.106  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.402   0.069  -1.122  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.553   2.688   0.715  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1        3.094  -1.545   2.963  0.00  0.00    +0.176 C 
ATOM     14  N   LIG    1        2.160  -0.478   2.693  0.00  0.00    -0.236 N 
ATOM     15  C   LIG    1        1.346  -0.350   1.594  0.00  0.00    +0.221 A 
ATOM     16  C   LIG    1        0.606   0.801   1.810  0.00  0.00    +0.063 A 
ATOM     17  C   LIG    1        1.116   1.320   3.024  0.00  0.00    +0.146 A 
ATOM     18  N   LIG    1        2.072   0.555   3.555  0.00  0.00    -0.176 NA
BRANCH  15  19
ATOM     19  O   LIG    1        1.359  -1.264   0.619  0.00  0.00    -0.476 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.849  -0.791  -0.644  0.00  0.00    +0.234 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.342  -0.923  -0.692  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1        4.037  -1.306  -1.974  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        3.988  -2.278  -0.827  0.00  0.00    +0.007 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  24
ATOM     24  C   LIG    1       -3.324  -1.444  -0.888  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.385  -2.145  -1.622  0.00  0.00    -0.325 NA
ATOM     26  H   LIG    1       -4.316  -1.867  -2.604  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -5.279  -1.740  -1.332  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH  11  24
TORSDOF 6