REMARK  Name = BDB008927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.603  -0.320  -0.264  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.389   0.663  -0.394  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.095   1.121   0.728  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.780   0.592   1.987  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.194  -0.398   2.118  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.878  -0.863   0.994  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.625  -0.890  -2.542  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        1.274  -0.799  -1.500  0.00  0.00    +0.258 C 
ATOM      9  N   LIG    1        2.620  -1.130  -1.493  0.00  0.00    -0.244 N 
ATOM     10  H   LIG    1        2.982  -1.371  -2.412  0.00  0.00    +0.170 HD
BRANCH   9  11
ATOM     11  N   LIG    1        3.524  -0.668  -0.512  0.00  0.00    -0.227 NA
ATOM     12  C   LIG    1        4.109   0.619  -0.906  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1        5.317   1.089  -0.093  0.00  0.00    +0.017 C 
ATOM     14  C   LIG    1        6.639   0.532  -0.619  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1        6.855  -0.956  -0.378  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1        5.743  -1.864  -0.897  0.00  0.00    +0.017 C 
ATOM     17  C   LIG    1        4.445  -1.729  -0.099  0.00  0.00    +0.105 C 
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1       -2.159   2.184   0.579  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.508   1.779   1.165  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -4.362   0.780   0.448  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -3.935   0.198  -0.871  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -5.068  -0.519  -1.612  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -5.872  -1.399  -0.663  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -6.478  -0.570   0.471  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -5.521   0.442   1.039  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -5.914   1.071   2.325  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -6.971   0.798   2.884  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -5.029   1.978   2.841  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -5.279   2.420   3.720  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -3.839   2.337   2.293  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4