REMARK  Name = BDB051438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.683  -0.711  -1.138  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -1.289  -0.685  -1.008  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1       -0.669   0.263  -0.171  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1       -1.471   1.170   0.522  0.00  0.00    +0.040 A 
ATOM      5  S   LIG    1       -0.463   2.205   1.459  0.00  0.00    -0.061 S 
ATOM      6  C   LIG    1        0.916   1.372   0.886  0.00  0.00    +0.136 A 
ATOM      7  C   LIG    1       -2.869   1.160   0.405  0.00  0.00    +0.021 A 
ATOM      8  N   LIG    1        0.694   0.393   0.043  0.00  0.00    -0.233 NA
ATOM      9  C   LIG    1       -3.461   0.206  -0.435  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -4.563  -1.763  -2.154  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -3.154  -1.681  -1.981  0.00  0.00    -0.495 OA
ENDBRANCH   1  11
BRANCH   6  12
ATOM     12  S   LIG    1        2.538   1.815   1.373  0.00  0.00    -0.084 S 
BRANCH  12  13
ATOM     13  C   LIG    1        3.477   0.312   0.889  0.00  0.00    +0.158 C 
ATOM     14  C   LIG    1        3.237  -0.797   1.910  0.00  0.00    +0.031 C 
BRANCH  13  15
ATOM     15  C   LIG    1        4.968   0.629   0.792  0.00  0.00    +0.318 C 
ATOM     16  O   LIG    1        5.858  -0.186   0.989  0.00  0.00    -0.250 OA
BRANCH  15  17
ATOM     17  O   LIG    1        5.254   1.893   0.390  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1        4.446   2.439   0.307  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   6  12
TORSDOF 5