REMARK  Name = BDB022076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.141  -0.763  -1.702  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.841  -0.823  -1.199  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        0.209  -1.216  -2.132  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        1.596  -1.253  -1.494  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1        1.800  -0.036  -0.584  0.00  0.00    +0.048 C 
ATOM      6  C   LIG    1        0.695   0.097   0.484  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1       -0.491  -0.826   0.219  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -2.431  -1.074  -2.855  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.183   0.016   0.019  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        3.801  -1.266   0.986  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        5.273  -0.403   1.202  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.190   0.811   0.520  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        6.293   1.688   0.559  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        7.441   1.331   1.274  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        7.502   0.115   1.947  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.421  -0.772   1.923  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        3.996   1.037  -0.145  0.00  0.00    -0.244 NA
ENDBRANCH   5   9
BRANCH   1  21
ATOM     18  C   LIG    1       -6.613  -1.516   0.384  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -5.397  -0.660   0.189  0.00  0.00    -0.049 A 
ATOM     20  C   LIG    1       -4.344  -1.102  -0.621  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -3.230  -0.284  -0.824  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1       -3.174   0.998  -0.265  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1       -4.219   1.452   0.547  0.00  0.00    -0.049 A 
ATOM     24  C   LIG    1       -4.186   2.836   1.124  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -5.330   0.621   0.758  0.00  0.00    +0.006 A 
ENDBRANCH   1  21
TORSDOF 2