REMARK  Name = BDB058864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.244   2.910   1.193  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.508   2.778   2.178  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1       -0.883   2.025   0.729  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -1.294   2.240  -0.180  0.00  0.00    +0.171 HD
ATOM      5  C   LIG    1       -1.012   0.794   1.345  0.00  0.00    +0.262 C 
ATOM      6  O   LIG    1       -0.375   0.508   2.358  0.00  0.00    -0.269 OA
BRANCH   5   7
ATOM      7  C   LIG    1       -1.935  -0.192   0.727  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1       -2.562   0.029  -0.501  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1       -2.354   1.164  -1.186  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -3.411  -0.926  -1.056  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -3.639  -2.125  -0.384  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.017  -2.364   0.841  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.167  -1.403   1.395  0.00  0.00    +0.016 A 
ENDBRANCH   5   7
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1        1.623   3.010   0.197  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        1.206   3.575  -1.069  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        2.692   3.586   0.983  0.00  0.00    -0.152 OA
BRANCH  14  20
ATOM     17  C   LIG    1        2.632  -1.393  -0.501  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        1.986  -0.657  -1.503  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        1.683   0.692  -1.299  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        2.022   1.297  -0.084  0.00  0.00    +0.107 A 
ATOM     21  C   LIG    1        2.686   0.577   0.913  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        2.985  -0.772   0.704  0.00  0.00    +0.021 A 
BRANCH  17  24
ATOM     23  N   LIG    1        3.164  -3.904  -0.882  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        2.931  -2.780  -0.710  0.00  0.00    +0.099 C 
ENDBRANCH  17  24
ENDBRANCH  14  20
ENDBRANCH   1  14
TORSDOF 5