REMARK  Name = BDB038885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  CA  LIG    1       -1.889   2.324  -1.819  0.00  0.00    +0.149 A 
ATOM      2  N   LIG    1       -0.945   1.407  -1.461  0.00  0.00    -0.238 NA
ATOM      3  C   LIG    1       -1.229   0.534  -0.460  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -2.494   0.597   0.137  0.00  0.00    +0.074 A 
ATOM      5  N   LIG    1       -3.063  -0.182   1.122  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1       -2.608  -0.965   1.569  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -4.338   0.239   1.414  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -4.615   1.316   0.575  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.878   1.936   0.668  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -6.811   1.458   1.595  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.504   0.379   2.421  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -5.259  -0.253   2.345  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -3.458   1.535  -0.238  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.149   2.447  -1.256  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3  15
ATOM     15  C   LIG    1       -0.190  -0.424  -0.086  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        0.233  -0.571   1.245  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        1.235  -1.484   1.586  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        1.837  -2.261   0.600  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        1.438  -2.128  -0.728  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        0.435  -1.213  -1.067  0.00  0.00    +0.012 A 
BRANCH  18  21
ATOM     21  N   LIG    1        2.889  -3.162   0.920  0.00  0.00    -0.216 N 
ATOM     22  H   LIG    1        3.034  -3.964   0.310  0.00  0.00    +0.174 HD
BRANCH  21  23
ATOM     23  S   LIG    1        4.358  -2.545   1.490  0.00  0.00    +0.072 S 
ATOM     24  O   LIG    1        4.127  -1.812   2.717  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1        5.298  -3.644   1.439  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.821  -1.383   0.225  0.00  0.00    +0.108 A 
ATOM     27  C   LIG    1        4.525  -0.026   0.384  0.00  0.00    +0.029 A 
ATOM     28  C   LIG    1        4.893   0.878  -0.612  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.564   0.427  -1.750  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.876  -0.926  -1.896  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        5.509  -1.837  -0.905  0.00  0.00    +0.029 A 
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH   3  15
BRANCH   1  33
ATOM     32  O   LIG    1       -2.166   4.125  -3.397  0.00  0.00    -0.243 OA
ATOM     33  C   LIG    1       -1.472   3.248  -2.914  0.00  0.00    +0.355 C 
BRANCH  33  34
ATOM     34  OXT LIG    1       -0.201   2.974  -3.300  0.00  0.00    -0.476 OA
ATOM     35  HXT LIG    1        0.136   2.227  -2.748  0.00  0.00    +0.295 HD
ENDBRANCH  33  34
ENDBRANCH   1  33
TORSDOF 6