REMARK  Name = BDB015373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.023  -1.669   1.153  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.638  -0.951   0.139  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        0.591  -1.498  -1.033  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -0.232  -2.723  -0.898  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -0.448  -2.962   0.593  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        1.290   0.203   0.471  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        1.622   1.148  -0.615  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        3.128   1.116  -0.943  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        3.955   1.559   0.195  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        3.306   1.306   1.498  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        2.343   0.101   1.512  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        5.368   1.173   0.209  0.00  0.00    +0.062 C 
ATOM     13  C   LIG    1        5.622  -0.347   0.204  0.00  0.00    +0.056 C 
ATOM     14  C   LIG    1        6.814  -0.052  -0.746  0.00  0.00    +0.169 C 
ATOM     15  F   LIG    1        7.029  -0.962  -1.723  0.00  0.00    -0.245 F 
ATOM     16  C   LIG    1        6.056   1.234  -1.169  0.00  0.00    +0.056 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  17
ATOM     17  S   LIG    1       -1.069  -0.978   2.288  0.00  0.00    +0.077 S 
ATOM     18  O   LIG    1       -0.481   0.196   2.899  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -1.572  -2.051   3.127  0.00  0.00    -0.150 OA
BRANCH  17  23
ATOM     20  C   LIG    1       -4.554   0.502  -0.298  0.00  0.00    -0.045 A 
ATOM     21  C   LIG    1       -4.659  -0.704   0.414  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -3.602  -1.162   1.204  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1       -2.424  -0.416   1.276  0.00  0.00    +0.109 A 
ATOM     24  C   LIG    1       -2.309   0.798   0.595  0.00  0.00    +0.029 A 
ATOM     25  C   LIG    1       -3.369   1.249  -0.193  0.00  0.00    +0.006 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -6.941   1.315  -0.327  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -5.693   1.018  -1.162  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1       -6.016   0.050  -2.303  0.00  0.00    +0.012 C 
ENDBRANCH  20  27
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 5