REMARK  Name = BDB059276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.200   1.272   1.421  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -0.101   0.397   2.449  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.868  -0.268   2.378  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.242   1.919   1.383  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -2.156   4.138  -1.919  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -1.921   2.792  -1.299  0.00  0.00    -0.046 A 
ATOM      7  C   LIG    1       -0.999   2.640  -0.258  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1       -0.809   1.389   0.341  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1       -1.527   0.273  -0.111  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -2.463   0.424  -1.133  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1       -2.659   1.678  -1.719  0.00  0.00    +0.049 A 
BRANCH  10  12
ATOM     12  O   LIG    1       -3.213  -0.598  -1.662  0.00  0.00    -0.489 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -3.316  -1.798  -0.874  0.00  0.00    +0.174 C 
ATOM     14  C   LIG    1       -3.796  -3.007  -1.633  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1       -2.360  -2.911  -1.211  0.00  0.00    +0.048 C 
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  N   LIG    1        1.082  -0.091   3.284  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        1.812   0.632   3.378  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        1.760  -1.570   2.730  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1        2.469  -2.192   3.825  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        0.691  -2.263   2.030  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.947  -1.065   1.536  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1        3.897  -0.117   1.890  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1        3.901   0.426   3.115  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1        4.846   0.304   0.964  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1        4.841  -0.232  -0.325  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        3.885  -1.186  -0.683  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        2.933  -1.607   0.247  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 6