REMARK  Name = BDB039915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.295  -0.150  -0.020  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -1.095   0.638  -0.856  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1       -0.713   1.322  -1.497  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.774  -0.900   0.817  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        5.641  -0.066   0.519  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        4.405  -0.469   1.057  0.00  0.00    +0.069 A 
ATOM      7  C   LIG    1        3.247  -0.121   0.364  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        3.233   0.621  -0.805  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        1.866   0.744  -1.169  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        1.125   0.076  -0.206  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1        4.458   1.059  -1.327  0.00  0.00    +0.013 A 
ATOM     12  O   LIG    1        1.980  -0.451   0.729  0.00  0.00    -0.450 OA
ATOM     13  C   LIG    1        5.641   0.718  -0.645  0.00  0.00    +0.024 A 
BRANCH   5  14
ATOM     14  N   LIG    1        6.796  -0.362   1.248  0.00  0.00    -0.344 N 
ATOM     15  H   LIG    1        6.671  -1.163   1.864  0.00  0.00    +0.146 HD
BRANCH  14  17
ATOM     16  C   LIG    1        8.360  -1.483  -0.288  0.00  0.00    +0.024 C 
ATOM     17  C   LIG    1        8.127  -0.313   0.653  0.00  0.00    +0.098 C 
ENDBRANCH  14  17
ENDBRANCH   5  14
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  S   LIG    1       -2.693   0.298  -1.190  0.00  0.00    +0.077 S 
ATOM     19  O   LIG    1       -2.747  -1.117  -1.479  0.00  0.00    -0.150 OA
ATOM     20  O   LIG    1       -3.035   1.295  -2.186  0.00  0.00    -0.150 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.596   0.691   0.276  0.00  0.00    +0.134 A 
ATOM     22  C   LIG    1       -4.914   0.238   0.361  0.00  0.00    +0.098 A 
ATOM     23  C   LIG    1       -5.621   0.541   1.547  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -6.943   0.096   1.672  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -7.538  -0.619   0.642  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -6.794  -0.869  -0.497  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -7.389  -1.636  -1.640  0.00  0.00    +0.065 C 
ATOM     28  C   LIG    1       -5.018   1.278   2.580  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1       -3.713   1.737   2.453  0.00  0.00    +0.003 A 
ATOM     30  N   LIG    1       -5.517  -0.445  -0.637  0.00  0.00    -0.250 NA
ATOM     31  C   LIG    1       -2.998   1.449   1.297  0.00  0.00    +0.031 A 
ENDBRANCH  18  21
ENDBRANCH   2  18
TORSDOF 5