REMARK  Name = BDB059355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.653   0.169   0.793  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.555  -0.362   1.676  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1        1.696  -0.367   2.121  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        1.812   0.165   1.019  0.00  0.00    +0.259 C 
ATOM      5  N   LIG    1        0.723   0.658   0.323  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1        0.773   0.904  -0.664  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1        3.146   0.324   0.383  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        4.264   0.431   1.221  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        5.540   0.583   0.676  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.705   0.617  -0.708  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        4.599   0.492  -1.548  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.319   0.341  -1.007  0.00  0.00    +0.013 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  S   LIG    1       -1.446  -0.831  -0.350  0.00  0.00    +0.076 S 
ATOM     14  O   LIG    1       -1.352  -2.200   0.100  0.00  0.00    -0.152 OA
ATOM     15  O   LIG    1       -0.942  -0.427  -1.651  0.00  0.00    -0.152 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -3.116  -0.307  -0.219  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1       -3.748  -0.391   1.014  0.00  0.00    +0.150 A 
ATOM     18  F   LIG    1       -3.100  -0.846   2.095  0.00  0.00    -0.203 F 
ATOM     19  C   LIG    1       -5.074   0.010   1.149  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1       -5.768   0.497   0.040  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -5.132   0.582  -1.201  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.802   0.180  -1.336  0.00  0.00    +0.031 A 
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 4