REMARK  Name = BDB026459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.880   1.479  -2.248  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -0.192   0.487  -2.077  0.00  0.00    +0.305 C 
ATOM      3  N   LIG    1       -0.466  -0.797  -2.542  0.00  0.00    -0.281 N 
ATOM      4  C   LIG    1        0.606  -1.708  -2.214  0.00  0.00    +0.128 C 
ATOM      5  C   LIG    1        1.362  -0.963  -1.123  0.00  0.00    +0.128 C 
ATOM      6  N   LIG    1        1.003   0.423  -1.352  0.00  0.00    -0.280 N 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.555  -1.127  -3.445  0.00  0.00    +0.142 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -2.713  -1.925  -2.815  0.00  0.00    +0.146 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -2.257  -3.230  -2.432  0.00  0.00    -0.389 OA
ATOM     10  H   LIG    1       -1.918  -3.086  -1.525  0.00  0.00    +0.210 HD
ENDBRANCH   8   9
BRANCH   8  11
ATOM     11  C   LIG    1       -3.406  -1.225  -1.617  0.00  0.00    +0.117 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -2.762  -1.556  -0.321  0.00  0.00    -0.295 NA
ATOM     13  C   LIG    1       -2.593  -0.352   0.519  0.00  0.00    +0.120 C 
ATOM     14  C   LIG    1       -3.855   0.155   1.181  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1       -4.931  -0.710   1.441  0.00  0.00    -0.042 A 
ATOM     16  C   LIG    1       -6.070  -0.225   2.098  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -6.135   1.106   2.508  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.065   1.963   2.262  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.892  -2.138   0.962  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -3.929   1.490   1.605  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.507  -2.572   0.452  0.00  0.00    +0.089 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   7   8
ENDBRANCH   3   7
BRANCH   6  22
ATOM     22  C   LIG    1        1.374   1.484  -0.439  0.00  0.00    +0.144 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.852   1.516  -0.143  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        3.340   1.164   1.124  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        4.716   1.176   1.392  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        5.221   0.825   2.773  0.00  0.00    +0.195 C 
ATOM     27  O   LIG    1        6.629   0.563   2.816  0.00  0.00    -0.375 OA
ATOM     28  C   LIG    1        7.367   1.597   2.161  0.00  0.00    +0.165 C 
ATOM     29  C   LIG    1        7.095   1.551   0.661  0.00  0.00    +0.063 C 
ATOM     30  C   LIG    1        5.614   1.567   0.384  0.00  0.00    -0.040 A 
ATOM     31  C   LIG    1        5.132   1.907  -0.885  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        3.761   1.885  -1.144  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 7