REMARK  Name = BDB028576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.243  -1.845  -0.389  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.998  -1.187  -0.708  0.00  0.00    -0.448 OA
BRANCH   2   8
ATOM      3  C   LIG    1        5.437   0.226   1.183  0.00  0.00    +0.403 C 
ATOM      4  N   LIG    1        5.556  -0.002  -0.179  0.00  0.00    -0.266 N 
ATOM      5  C   LIG    1        4.702   0.674  -1.154  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1        3.281   0.095  -1.204  0.00  0.00    +0.130 C 
ATOM      7  N   LIG    1        3.164  -1.353  -1.416  0.00  0.00    -0.266 N 
ATOM      8  C   LIG    1        1.982  -2.026  -1.137  0.00  0.00    +0.403 C 
ATOM      9  O   LIG    1        1.826  -3.233  -1.265  0.00  0.00    -0.226 OA
ATOM     10  C   LIG    1        4.298  -2.116  -1.935  0.00  0.00    +0.112 C 
ATOM     11  C   LIG    1        5.358  -2.382  -0.867  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        6.274  -1.182  -0.634  0.00  0.00    +0.112 C 
ATOM     13  O   LIG    1        6.012  -0.431   2.043  0.00  0.00    -0.226 OA
BRANCH   3  15
ATOM     14  C   LIG    1        4.452   1.534   2.857  0.00  0.00    +0.282 C 
ATOM     15  O   LIG    1        4.603   1.266   1.462  0.00  0.00    -0.454 OA
ENDBRANCH   3  15
ENDBRANCH   2   8
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -1.241  -0.765   0.048  0.00  0.00    +0.166 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.717  -0.114   1.216  0.00  0.00    -0.387 OA
ATOM     18  H   LIG    1        0.209   0.109   1.008  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -2.620  -1.399   0.349  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -3.775  -0.510   0.574  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -4.162   0.243  -0.627  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -5.336   1.174  -0.398  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -5.678   1.596   0.900  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -6.748   2.482   1.086  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -7.458   2.967  -0.011  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -7.109   2.568  -1.300  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.937   1.040   2.091  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -6.052   1.678  -1.493  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.593   0.405   1.707  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7