REMARK  Name = BDB054969
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.458  -0.875  -0.202  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.728  -1.699  -0.424  0.00  0.00    +0.245 C 
ATOM      3  N   LIG    1       -2.598  -1.836   0.672  0.00  0.00    -0.189 N 
ATOM      4  H   LIG    1       -2.332  -1.474   1.585  0.00  0.00    +0.176 HD
ATOM      5  O   LIG    1       -1.991  -2.189  -1.516  0.00  0.00    -0.273 OA
BRANCH   3   6
ATOM      6  S   LIG    1       -4.175  -2.322   0.580  0.00  0.00    +0.042 S 
ATOM      7  O   LIG    1       -4.837  -1.563  -0.455  0.00  0.00    -0.155 OA
ATOM      8  O   LIG    1       -4.655  -2.284   1.947  0.00  0.00    -0.155 OA
ATOM      9  C   LIG    1       -4.051  -4.032   0.094  0.00  0.00    +0.218 C 
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  10
ATOM     10  C   LIG    1       -0.688   0.577  -0.663  0.00  0.00    +0.024 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -1.701   1.385   0.161  0.00  0.00    +0.001 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -2.390   3.007  -1.688  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -1.813   2.845  -0.290  0.00  0.00    -0.003 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   1  14
ATOM     14  S   LIG    1        0.137  -1.034   1.527  0.00  0.00    -0.086 S 
BRANCH  14  15
ATOM     15  C   LIG    1        1.790  -0.480   1.375  0.00  0.00    +0.136 A 
ATOM     16  S   LIG    1        2.751  -0.117   2.743  0.00  0.00    -0.061 S 
ATOM     17  C   LIG    1        4.064   0.293   1.707  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        3.666   0.114   0.380  0.00  0.00    +0.081 A 
ATOM     19  C   LIG    1        4.585   0.390  -0.652  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        5.868   0.833  -0.323  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1        6.249   1.006   1.004  0.00  0.00    +0.021 A 
ATOM     22 CL   LIG    1        6.994   1.171  -1.580  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1        5.353   0.738   2.044  0.00  0.00    +0.018 A 
ATOM     24  N   LIG    1        2.365  -0.330   0.207  0.00  0.00    -0.233 NA
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 7