REMARK  Name = BDB001036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.784  -2.651   0.399  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -3.913  -1.792   0.319  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -4.245  -0.337   0.209  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -3.205   0.612   0.119  0.00  0.00    -0.007 A 
ATOM      5  C   LIG    1       -3.529   1.968   0.018  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -4.869   2.370   0.006  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.892   1.425   0.095  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.828   0.129   0.137  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1       -0.565   0.939   0.054  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        0.474  -0.154   0.125  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1       -0.157  -1.409   0.234  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        0.586  -2.571   0.318  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        1.976  -2.458   0.289  0.00  0.00    +0.151 A 
ATOM     14  F   LIG    1        2.700  -3.582   0.373  0.00  0.00    -0.203 F 
ATOM     15  C   LIG    1        2.608  -1.210   0.178  0.00  0.00    +0.146 A 
ATOM     16  C   LIG    1        1.856  -0.032   0.094  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1       -1.591  -1.186   0.238  0.00  0.00    +0.054 A 
ATOM     18  C   LIG    1       -5.583   0.069   0.197  0.00  0.00    +0.014 A 
ATOM     19  N   LIG    1       -2.571  -2.120   0.326  0.00  0.00    -0.321 N 
ATOM     20  H   LIG    1       -2.352  -3.104   0.400  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  15  21
ATOM     21  S   LIG    1        4.370  -1.234   0.156  0.00  0.00    +0.088 S 
ATOM     22  O   LIG    1        4.800  -1.902  -1.057  0.00  0.00    -0.148 OA
ATOM     23  O   LIG    1        4.833  -1.607   1.478  0.00  0.00    -0.148 OA
BRANCH  21  24
ATOM     24  N   LIG    1        4.878   0.358  -0.039  0.00  0.00    -0.206 N 
ATOM     25  C   LIG    1        5.018   1.243   0.983  0.00  0.00    +0.222 A 
ATOM     26  N   LIG    1        5.223   2.458   0.516  0.00  0.00    -0.242 NA
ATOM     27  C   LIG    1        5.232   2.329  -0.855  0.00  0.00    +0.132 A 
ATOM     28  C   LIG    1        4.991   1.025  -1.226  0.00  0.00    +0.133 A 
ENDBRANCH  21  24
ENDBRANCH  15  21
TORSDOF 2