REMARK  Name = BDB047876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.059   0.435   0.099  0.00  0.00    +0.164 A 
ATOM      2  N   LIG    1       -0.702  -0.675   0.090  0.00  0.00    -0.223 NA
ATOM      3  C   LIG    1       -2.038  -0.548   0.231  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -2.635   0.703   0.384  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -4.035   0.834   0.532  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.851  -0.293   0.527  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -4.278  -1.550   0.376  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -1.744   1.766   0.376  0.00  0.00    +0.224 A 
ATOM      9  C   LIG    1       -2.890  -1.663   0.231  0.00  0.00    +0.143 A 
ATOM     10  N   LIG    1       -0.417   1.683   0.239  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.315  -0.077  -0.359  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.475  -1.194  -0.361  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        2.094  -1.017  -0.211  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        1.520   0.263  -0.058  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        2.397   1.367  -0.061  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        3.781   1.207  -0.210  0.00  0.00    +0.033 A 
BRANCH  11  18
ATOM     17  O   LIG    1        6.471   0.767  -0.508  0.00  0.00    -0.126 OA
ATOM     18  N   LIG    1        5.764  -0.251  -0.515  0.00  0.00    +0.056 N 
ATOM     19  O   LIG    1        6.196  -1.406  -0.644  0.00  0.00    -0.126 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   8  20
ATOM     20  O   LIG    1       -2.181   3.048   0.516  0.00  0.00    -0.492 OA
ATOM     21  H   LIG    1       -1.337   3.531   0.469  0.00  0.00    +0.294 HD
ENDBRANCH   8  20
BRANCH   9  22
ATOM     22  O   LIG    1       -2.339  -2.915   0.082  0.00  0.00    -0.505 OA
ATOM     23  H   LIG    1       -3.043  -3.582   0.101  0.00  0.00    +0.292 HD
ENDBRANCH   9  22
TORSDOF 4