REMARK  Name = BDB001877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.494   2.146   0.477  0.00  0.00    +0.177 A 
ATOM      2  S   LIG    1        0.873   2.789   0.279  0.00  0.00    +0.031 S 
ATOM      3  N   LIG    1        0.264   1.182   0.108  0.00  0.00    -0.261 N 
ATOM      4  C   LIG    1        1.321   0.279   0.139  0.00  0.00    +0.154 A 
ATOM      5  N   LIG    1        2.581   0.830   0.378  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.162   0.896   0.035  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -2.001   1.790  -0.635  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -3.372   1.529  -0.699  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -3.905   0.383  -0.097  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1       -5.385   0.123  -0.139  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.056  -0.485   0.598  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -1.683  -0.233   0.666  0.00  0.00    +0.027 A 
ENDBRANCH   3   6
BRANCH   4  13
ATOM     13  C   LIG    1        1.238  -1.152  -0.118  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        0.623  -1.643  -1.278  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        0.548  -3.019  -1.502  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        1.097  -3.908  -0.579  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        1.731  -3.426   0.565  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        1.809  -2.052   0.793  0.00  0.00    +0.011 A 
ENDBRANCH   4  13
BRANCH   1  20
ATOM     19  C   LIG    1        4.891   2.453   0.627  0.00  0.00    +0.127 C 
ATOM     20  N   LIG    1        3.538   2.967   0.718  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1        3.451   3.967   0.560  0.00  0.00    +0.148 HD
ENDBRANCH   1  20
TORSDOF 3