REMARK  Name = BDB057580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.818   1.861   1.558  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -1.662   1.245   0.472  0.00  0.00    -0.036 A 
ATOM      3  C   LIG    1       -1.300   0.099  -0.279  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1       -2.292  -0.435  -1.116  0.00  0.00    +0.143 A 
ATOM      5  O   LIG    1       -2.122  -1.686  -1.742  0.00  0.00    -0.422 OA
ATOM      6  C   LIG    1       -1.170  -2.581  -1.272  0.00  0.00    +0.349 A 
ATOM      7  C   LIG    1        0.058  -1.944  -0.718  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1        1.275  -2.647  -0.702  0.00  0.00    +0.135 A 
ATOM      9  C   LIG    1        2.446  -2.033  -0.264  0.00  0.00    +0.095 A 
ATOM     10  C   LIG    1        2.421  -0.699   0.129  0.00  0.00    +0.163 A 
ATOM     11  C   LIG    1        1.215   0.006   0.095  0.00  0.00    +0.058 A 
ATOM     12  O   LIG    1       -1.335  -3.786  -1.389  0.00  0.00    -0.244 OA
ATOM     13  C   LIG    1       -3.529   0.172  -1.343  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1       -3.817   1.344  -0.674  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1       -0.002  -0.609  -0.268  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -2.907   1.871   0.232  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  17
ATOM     17  O   LIG    1        1.348  -3.935  -1.152  0.00  0.00    -0.506 OA
ATOM     18  H   LIG    1        2.223  -4.316  -0.975  0.00  0.00    +0.292 HD
ENDBRANCH   8  17
BRANCH  14  19
ATOM     19  O   LIG    1       -5.000   1.996  -0.846  0.00  0.00    -0.507 OA
ATOM     20  H   LIG    1       -5.537   1.507  -1.492  0.00  0.00    +0.292 HD
ENDBRANCH  14  19
BRANCH  10  21
ATOM     21  O   LIG    1        3.636  -0.174   0.491  0.00  0.00    -0.325 OA
BRANCH  21  22
ATOM     22  S   LIG    1        3.773   1.225   1.312  0.00  0.00    +0.251 S 
ATOM     23  O   LIG    1        3.573   2.321   0.389  0.00  0.00    -0.108 OA
ATOM     24  O   LIG    1        3.040   1.131   2.554  0.00  0.00    -0.108 OA
BRANCH  22  25
ATOM     25  O   LIG    1        5.344   1.267   1.673  0.00  0.00    -0.222 OA
ATOM     26  H   LIG    1        5.799   1.753   0.954  0.00  0.00    +0.248 HD
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH  10  21
TORSDOF 5