REMARK  Name = BDB028568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.183   0.069   0.252  0.00  0.00    +0.266 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.201  -0.262   0.008  0.00  0.00    -0.448 OA
BRANCH   2   7
ATOM      3  C   LIG    1        5.138  -0.118  -0.564  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1        4.632   1.013   0.355  0.00  0.00    +0.032 C 
ATOM      5  C   LIG    1        3.508   0.563   1.283  0.00  0.00    +0.112 C 
ATOM      6  N   LIG    1        2.404  -0.004   0.521  0.00  0.00    -0.267 N 
ATOM      7  C   LIG    1        1.102   0.331   0.840  0.00  0.00    +0.403 C 
ATOM      8  O   LIG    1        0.785   1.071   1.762  0.00  0.00    -0.226 OA
ATOM      9  C   LIG    1        2.730  -0.899  -0.584  0.00  0.00    +0.112 C 
ATOM     10  C   LIG    1        4.189  -1.332  -0.563  0.00  0.00    +0.032 C 
BRANCH   3  13
ATOM     11  C   LIG    1        7.500   1.498  -1.326  0.00  0.00    +0.131 C 
ATOM     12  N   LIG    1        7.595   0.371  -0.410  0.00  0.00    -0.307 N 
ATOM     13  C   LIG    1        6.561  -0.533  -0.172  0.00  0.00    +0.218 C 
ATOM     14  O   LIG    1        6.769  -1.623   0.366  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        8.947  -0.061  -0.088  0.00  0.00    +0.131 C 
ENDBRANCH   3  13
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -1.736  -0.808   1.383  0.00  0.00    +0.166 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.675  -2.193   1.009  0.00  0.00    -0.387 OA
ATOM     18  H   LIG    1       -0.788  -2.330   0.630  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -3.169  -0.412   1.802  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -4.127  -0.154   0.703  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -5.342   0.486   1.254  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -6.454   0.665   0.244  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -6.503  -0.119  -0.920  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -7.562   0.037  -1.824  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -8.582   0.950  -1.560  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -8.548   1.717  -0.398  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.381  -1.077  -1.224  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -7.491   1.574   0.502  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.511  -1.392   0.003  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7