REMARK  Name = BDB056253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.851  -1.302   2.047  0.00  0.00    +0.190 A 
ATOM      2  O   LIG    1        0.316  -0.619   1.825  0.00  0.00    -0.446 OA
ATOM      3  C   LIG    1        0.754  -0.107   3.014  0.00  0.00    +0.190 A 
ATOM      4  C   LIG    1       -0.148  -0.448   4.004  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -1.158  -1.230   3.394  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   1   7
ATOM      6  O   LIG    1       -0.772  -2.421  -0.007  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -1.462  -1.964   0.905  0.00  0.00    +0.282 C 
ATOM      8  N   LIG    1       -2.860  -2.072   0.860  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1       -3.778  -1.251   1.645  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -5.120  -1.019   0.940  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -4.894  -0.733  -0.559  0.00  0.00    +0.060 C 
ATOM     12  C   LIG    1       -4.197  -1.964  -1.202  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1       -3.473  -2.858  -0.197  0.00  0.00    +0.109 C 
BRANCH  11  14
ATOM     14  N   LIG    1       -6.151  -0.396  -1.277  0.00  0.00    -0.299 NA
ATOM     15  C   LIG    1       -6.789   0.849  -0.806  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -6.088   1.985  -1.536  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1       -5.522   1.348  -2.795  0.00  0.00    +0.017 C 
ATOM     18  C   LIG    1       -5.941  -0.113  -2.712  0.00  0.00    +0.085 C 
ENDBRANCH  11  14
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  C   LIG    1        1.964   0.702   3.094  0.00  0.00    +0.282 C 
ATOM     20  N   LIG    1        2.897   0.661   2.046  0.00  0.00    -0.295 N 
ATOM     21  C   LIG    1        2.919  -0.363   1.004  0.00  0.00    +0.109 C 
ATOM     22  C   LIG    1        4.293  -0.507   0.353  0.00  0.00    +0.038 C 
ATOM     23  C   LIG    1        4.768   0.825  -0.262  0.00  0.00    +0.060 C 
ATOM     24  C   LIG    1        4.463   2.005   0.698  0.00  0.00    +0.038 C 
ATOM     25  C   LIG    1        4.039   1.566   2.095  0.00  0.00    +0.109 C 
ATOM     26  O   LIG    1        2.163   1.420   4.076  0.00  0.00    -0.267 OA
BRANCH  23  27
ATOM     27  N   LIG    1        6.209   0.826  -0.630  0.00  0.00    -0.299 NA
ATOM     28  C   LIG    1        6.661  -0.351  -1.392  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1        6.250  -0.085  -2.829  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1        6.292   1.430  -2.958  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        6.536   1.944  -1.542  0.00  0.00    +0.085 C 
ENDBRANCH  23  27
ENDBRANCH   3  19
TORSDOF 4