REMARK  Name = BDB015361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.847  -1.365  -2.833  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1        0.223  -0.161  -3.339  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.454  -2.304  -3.760  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1        4.164  -0.034   0.053  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        3.010   0.747  -0.130  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        2.000   0.343  -1.007  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        2.126  -0.864  -1.695  0.00  0.00    +0.109 A 
ATOM      8  C   LIG    1        3.277  -1.643  -1.549  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        4.286  -1.230  -0.671  0.00  0.00    +0.012 A 
BRANCH   4  13
ATOM     10  C   LIG    1        6.307   2.567   3.512  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        6.175   1.545   2.503  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1        5.020   1.430   1.830  0.00  0.00    -0.171 NA
ATOM     13  C   LIG    1        5.216   0.407   0.979  0.00  0.00    +0.093 A 
ATOM     14  C   LIG    1        6.530  -0.116   1.139  0.00  0.00    +0.049 A 
ATOM     15  C   LIG    1        7.117   0.639   2.127  0.00  0.00    +0.108 A 
ENDBRANCH   4  13
ENDBRANCH   1   7
BRANCH   1  16
ATOM     16  N   LIG    1       -0.213  -2.232  -1.855  0.00  0.00    -0.172 N 
ATOM     17  C   LIG    1       -0.965  -1.746  -0.774  0.00  0.00    +0.201 C 
ATOM     18  N   LIG    1       -1.261  -2.631   0.125  0.00  0.00    -0.253 NA
ATOM     19  C   LIG    1       -0.731  -3.925  -0.369  0.00  0.00    +0.166 C 
ATOM     20  C   LIG    1        0.167  -3.622  -1.565  0.00  0.00    +0.158 C 
BRANCH  17  21
ATOM     21  N   LIG    1       -1.317  -0.427  -0.751  0.00  0.00    -0.300 N 
ATOM     22  C   LIG    1       -2.437  -0.056  -1.655  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1       -3.071   1.295  -1.270  0.00  0.00    +0.103 C 
ATOM     24  N   LIG    1       -3.622   1.351   0.107  0.00  0.00    -0.296 NA
ATOM     25  C   LIG    1       -2.888   0.416   0.999  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1       -1.420   0.216   0.580  0.00  0.00    +0.123 C 
BRANCH  24  27
ATOM     27  C   LIG    1       -5.050   0.998   0.102  0.00  0.00    +0.057 C 
ATOM     28  C   LIG    1       -5.685   1.322   1.482  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -6.879   1.910   0.702  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -5.885   2.188  -0.446  0.00  0.00    +0.019 C 
ENDBRANCH  24  27
ENDBRANCH  17  21
ENDBRANCH   1  16
TORSDOF 5