REMARK  Name = BDB049222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.587   2.158   0.008  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.594   0.616   0.057  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        0.698   0.281  -0.699  0.00  0.00    +0.095 C 
ATOM      4  N   LIG    1        1.663   1.325  -0.344  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        0.917   2.470   0.204  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.804  -0.056  -0.529  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.632  -1.032   0.120  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.643  -1.395  -0.774  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.631  -2.337  -0.445  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -4.587  -2.921   0.824  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.591  -2.579   1.733  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -3.433  -0.673  -1.928  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -4.253  -0.752  -3.116  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -2.612  -1.640   1.394  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -2.334   0.130  -1.793  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   4  16
ATOM     16  C   LIG    1        2.838   0.921   0.447  0.00  0.00    +0.087 C 
ATOM     17  C   LIG    1        3.756   0.001  -0.358  0.00  0.00    -0.027 A 
ATOM     18  C   LIG    1        4.105  -1.289   0.085  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1        4.964  -2.080  -0.698  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        5.458  -1.611  -1.914  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.110  -0.341  -2.360  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.641  -1.829   1.412  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1        2.403  -1.127   1.953  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        4.269   0.459  -1.587  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        2.564   0.384   1.874  0.00  0.00    +0.024 C 
ENDBRANCH   4  16
BRANCH   1  27
ATOM     26  C   LIG    1       -1.484   2.445   2.296  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1       -1.454   2.941   0.920  0.00  0.00    -0.304 NA
ATOM     28  C   LIG    1       -2.821   3.050   0.408  0.00  0.00    +0.104 C 
ENDBRANCH   1  27
TORSDOF 3