REMARK  Name = BDB051426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.961   0.415   0.516  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.648   0.025   0.810  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.575   0.488   0.023  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1       -0.849   1.339  -1.049  0.00  0.00    +0.040 A 
ATOM      5  S   LIG    1        0.630   1.748  -1.830  0.00  0.00    -0.061 S 
ATOM      6  C   LIG    1        1.484   0.777  -0.712  0.00  0.00    +0.136 A 
ATOM      7  C   LIG    1       -2.157   1.740  -1.359  0.00  0.00    +0.021 A 
ATOM      8  N   LIG    1        0.764   0.179   0.206  0.00  0.00    -0.233 NA
ATOM      9  C   LIG    1       -3.206   1.265  -0.560  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -5.260   0.247   1.112  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -3.905  -0.107   1.358  0.00  0.00    -0.495 OA
ENDBRANCH   1  11
BRANCH   6  12
ATOM     12  S   LIG    1        3.226   0.606  -0.768  0.00  0.00    -0.084 S 
BRANCH  12  13
ATOM     13  C   LIG    1        3.469  -0.888   0.272  0.00  0.00    +0.158 C 
ATOM     14  C   LIG    1        3.102  -2.137  -0.525  0.00  0.00    +0.031 C 
BRANCH  13  15
ATOM     15  C   LIG    1        4.919  -0.970   0.746  0.00  0.00    +0.318 C 
ATOM     16  O   LIG    1        5.502  -2.016   0.997  0.00  0.00    -0.250 OA
BRANCH  15  17
ATOM     17  O   LIG    1        5.519   0.229   0.949  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1        4.945   0.973   0.672  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   6  12
TORSDOF 5