REMARK  Name = BDB059253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.254  -1.731   1.237  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.261  -1.001   0.248  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1       -0.908  -0.567  -0.354  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.902   0.332  -0.843  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.536  -0.506  -0.338  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.680  -0.497   0.473  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1        3.910  -0.042  -0.025  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1        3.976   0.388  -1.359  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        2.843   0.369  -2.175  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.623  -0.080  -1.669  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        5.118  -0.028   0.809  0.00  0.00    +0.019 A 
ATOM     12  S   LIG    1        5.076   0.640   2.391  0.00  0.00    -0.097 S 
ATOM     13  C   LIG    1        6.734   0.318   2.649  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        7.320  -0.278   1.556  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        6.390  -0.473   0.494  0.00  0.00    +0.016 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1       -2.191  -0.811   0.465  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1       -1.984  -1.412   1.280  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.933   0.628   1.021  0.00  0.00    +0.076 S 
ATOM     19  O   LIG    1       -2.922   0.558   2.467  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1       -2.336   1.742   0.311  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -4.586   0.426   0.467  0.00  0.00    +0.142 A 
ATOM     22  C   LIG    1       -4.839   0.401  -0.899  0.00  0.00    +0.150 A 
ATOM     23  F   LIG    1       -3.846   0.506  -1.793  0.00  0.00    -0.203 F 
ATOM     24  C   LIG    1       -6.142   0.254  -1.366  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -7.196   0.136  -0.459  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -6.944   0.166   0.914  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.637   0.312   1.383  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5