REMARK  Name = BDB002788
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.081   3.080  -0.316  0.00  0.00    -0.096 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.071   1.919   1.019  0.00  0.00    +0.109 A 
ATOM      3  C   LIG    1        2.229   1.192   1.319  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        2.119   0.328   2.398  0.00  0.00    +0.112 A 
ATOM      5  S   LIG    1        3.555  -0.537   2.707  0.00  0.00    -0.077 S 
ATOM      6  C   LIG    1        4.364   0.226   1.408  0.00  0.00    +0.048 A 
ATOM      7  N   LIG    1        1.032   0.142   3.166  0.00  0.00    -0.228 NA
ATOM      8  C   LIG    1       -0.001   0.896   2.785  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        3.549   1.122   0.752  0.00  0.00    +0.020 A 
ATOM     10  N   LIG    1       -0.054   1.751   1.751  0.00  0.00    -0.229 NA
ENDBRANCH   1   2
BRANCH   1  11
ATOM     11  C   LIG    1       -0.597   2.842  -0.978  0.00  0.00    +0.171 C 
BRANCH  11  14
ATOM     12  N   LIG    1       -1.127   0.474  -0.777  0.00  0.00    -0.312 N 
ATOM     13  H   LIG    1       -1.320   0.718   0.189  0.00  0.00    +0.149 HD
ATOM     14  C   LIG    1       -0.726   1.478  -1.633  0.00  0.00    +0.223 C 
ATOM     15  O   LIG    1       -0.481   1.292  -2.822  0.00  0.00    -0.275 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -1.331  -0.902  -1.211  0.00  0.00    +0.070 C 
ATOM     17  C   LIG    1       -2.760  -1.072  -1.722  0.00  0.00    +0.028 C 
BRANCH  16  19
ATOM     18  C   LIG    1       -1.027  -3.323  -0.442  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -0.998  -1.853  -0.051  0.00  0.00    +0.018 C 
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH  11  14
ENDBRANCH   1  11
TORSDOF 5