REMARK  Name = BDB022069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.407  -0.828  -1.732  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.073  -1.061  -1.397  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -0.524  -0.915  -0.044  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        0.524  -1.983   0.251  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1        1.688  -1.941  -0.757  0.00  0.00    +0.048 C 
ATOM      6  C   LIG    1        1.252  -1.422  -2.139  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1       -0.223  -1.694  -2.401  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -2.917  -1.232  -2.776  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.828  -1.103  -0.230  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        4.447  -1.661  -0.361  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        5.006  -0.223   0.402  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        3.909   0.587   0.704  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        4.135   1.826   1.337  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        5.439   2.220   1.650  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.518   1.397   1.341  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.321   0.164   0.712  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        2.675   0.073   0.339  0.00  0.00    -0.244 NA
ENDBRANCH   5   9
BRANCH   1  22
ATOM     18  C   LIG    1       -5.842   2.167   1.826  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -4.931   1.381   0.928  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1       -3.699   1.916   0.527  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -2.866   1.201  -0.336  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -3.260  -0.058  -0.798  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -4.504  -0.581  -0.436  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -5.335   0.136   0.427  0.00  0.00    +0.004 A 
ENDBRANCH   1  22
TORSDOF 2