REMARK  Name = BDB022070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.171  -1.390  -0.405  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.019  -0.673  -0.731  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -0.900   0.783  -0.621  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        0.505   1.211  -0.215  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1        1.564   0.703  -1.209  0.00  0.00    +0.048 C 
ATOM      6  C   LIG    1        1.177  -0.645  -1.847  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1        0.209  -1.429  -0.970  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -2.186  -2.608  -0.238  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.905   0.607  -0.523  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        4.124   1.777  -0.830  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        5.179   0.968   0.264  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.519  -0.143   0.791  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        5.198  -0.959   1.718  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        6.510  -0.645   2.091  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        7.148   0.467   1.553  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.495   1.293   0.631  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        3.225  -0.336   0.336  0.00  0.00    -0.244 NA
ENDBRANCH   5   9
BRANCH   1  21
ATOM     18  C   LIG    1       -6.171  -0.291   2.376  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -5.404  -0.158   1.094  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1       -4.179  -0.818   0.930  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -3.449  -0.660  -0.254  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1       -3.948   0.132  -1.293  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -5.159   0.802  -1.128  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.877   0.666   0.063  0.00  0.00    +0.003 A 
ENDBRANCH   1  21
TORSDOF 2