REMARK  Name = BDB045371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.272   2.655   0.004  0.00  0.00    +0.177 A 
ATOM      2  S   LIG    1        0.465   2.779  -0.212  0.00  0.00    +0.031 S 
ATOM      3  N   LIG    1        0.590   1.058  -0.132  0.00  0.00    -0.261 N 
ATOM      4  C   LIG    1       -0.680   0.506  -0.008  0.00  0.00    +0.154 A 
ATOM      5  N   LIG    1       -1.729   1.418   0.105  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.875   0.374  -0.119  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        2.926   0.887  -0.886  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        4.165   0.245  -0.868  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        4.352  -0.891  -0.081  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        3.305  -1.388   0.695  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        2.062  -0.754   0.683  0.00  0.00    +0.027 A 
ENDBRANCH   3   6
BRANCH   4  12
ATOM     12  C   LIG    1       -1.009  -0.913  -0.053  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -0.575  -1.721  -1.114  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -0.894  -3.080  -1.134  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -1.657  -3.634  -0.107  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.112  -2.832   0.938  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -1.796  -1.472   0.963  0.00  0.00    +0.011 A 
ENDBRANCH   4  12
BRANCH   1  19
ATOM     18  C   LIG    1       -3.434   3.659   0.435  0.00  0.00    +0.127 C 
ATOM     19  N   LIG    1       -2.043   3.763   0.040  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1       -1.626   4.679   0.176  0.00  0.00    +0.148 HD
ENDBRANCH   1  19
TORSDOF 3