REMARK  Name = BDB050678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.654  -0.967  -0.127  0.00  0.00    +0.163 A 
ATOM      2  C   LIG    1       -3.192   0.313   0.048  0.00  0.00    +0.174 A 
ATOM      3  C   LIG    1       -2.435   1.504  -0.140  0.00  0.00    +0.079 A 
ATOM      4  S   LIG    1       -3.424   3.005   0.123  0.00  0.00    -0.040 S 
ATOM      5  S   LIG    1       -2.229   4.336   1.101  0.00  0.00    -0.007 S 
ATOM      6  S   LIG    1       -1.474   5.509  -0.408  0.00  0.00    -0.001 S 
ATOM      7  S   LIG    1       -0.867   4.177  -1.850  0.00  0.00    -0.007 S 
ATOM      8  S   LIG    1        0.114   2.736  -0.792  0.00  0.00    -0.043 S 
ATOM      9  C   LIG    1       -1.071   1.383  -0.538  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -0.527   0.070  -0.718  0.00  0.00    -0.027 A 
ATOM     11  C   LIG    1       -1.326  -1.075  -0.506  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -2.986  -3.333  -0.100  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -3.497  -2.022   0.098  0.00  0.00    -0.491 OA
ENDBRANCH   1  13
BRANCH   2  14
ATOM     14  O   LIG    1       -4.522   0.365   0.424  0.00  0.00    -0.503 OA
ATOM     15  H   LIG    1       -4.773   1.301   0.504  0.00  0.00    +0.292 HD
ENDBRANCH   2  14
BRANCH  10  16
ATOM     16  C   LIG    1        0.921  -0.211  -1.118  0.00  0.00    +0.052 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.854  -0.282   0.106  0.00  0.00    +0.088 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.232  -0.682  -0.239  0.00  0.00    -0.308 NA
ATOM     19  C   LIG    1        3.933   0.369  -0.982  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1        3.979  -0.998   0.982  0.00  0.00    +0.104 C 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  10  16
TORSDOF 5