REMARK  Name = BDB028561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.332   2.488  -0.166  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.853   1.738   0.126  0.00  0.00    -0.448 OA
BRANCH   2   4
ATOM      3  O   LIG    1        1.405   1.911  -2.078  0.00  0.00    -0.226 OA
ATOM      4  C   LIG    1        1.638   1.480  -0.954  0.00  0.00    +0.403 C 
ATOM      5  N   LIG    1        2.730   0.692  -0.643  0.00  0.00    -0.263 N 
ATOM      6  C   LIG    1        3.733   0.507  -1.681  0.00  0.00    +0.146 C 
ATOM      7  C   LIG    1        4.751  -0.574  -1.394  0.00  0.00    -0.027 A 
ATOM      8  C   LIG    1        4.744  -1.296  -0.188  0.00  0.00    -0.041 A 
ATOM      9  C   LIG    1        5.698  -2.299   0.030  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        6.671  -2.568  -0.932  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        6.692  -1.845  -2.122  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        3.676  -1.033   0.841  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        5.737  -0.854  -2.353  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.127   0.387   0.727  0.00  0.00    +0.116 C 
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.088   2.787   1.135  0.00  0.00    +0.166 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -2.197   3.664   0.906  0.00  0.00    -0.387 OA
ATOM     17  H   LIG    1       -1.859   4.448   0.438  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -1.550   1.512   1.885  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.296   0.508   1.094  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1       -3.593   1.042   0.626  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -4.513  -0.003   0.022  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -4.308  -1.374   0.249  0.00  0.00    -0.042 A 
ATOM     23  C   LIG    1       -5.187  -2.314  -0.306  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.281  -1.894  -1.061  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.501  -0.535  -1.272  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.108  -1.828   1.037  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -5.624   0.406  -0.732  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.521  -0.704   1.898  0.00  0.00    +0.089 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 6