REMARK  Name = BDB008974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.081  -0.945  -2.147  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.214  -1.353  -1.211  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -2.852  -0.329  -0.324  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1       -2.425   1.112  -0.368  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1       -3.403   2.056   0.339  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.853   1.478   1.675  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -4.536   0.122   1.482  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1       -3.819  -0.765   0.502  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.228  -2.192   0.484  0.00  0.00    +0.268 A 
ATOM     10  O   LIG    1       -5.119  -2.620   1.210  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1       -3.555  -2.996  -0.396  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -3.818  -3.975  -0.423  0.00  0.00    +0.192 HD
ATOM     13  N   LIG    1       -2.558  -2.606  -1.234  0.00  0.00    -0.175 NA
ENDBRANCH   1   2
BRANCH   1  17
ATOM     14  C   LIG    1        2.649  -0.118  -0.212  0.00  0.00    +0.127 A 
ATOM     15  N   LIG    1        2.135   0.764  -1.104  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1        0.958   0.465  -1.698  0.00  0.00    +0.117 A 
ATOM     17  C   LIG    1        0.221  -0.682  -1.440  0.00  0.00    -0.023 A 
ATOM     18  C   LIG    1        0.767  -1.586  -0.533  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        1.985  -1.301   0.089  0.00  0.00    +0.044 A 
BRANCH  14  22
ATOM     20  O   LIG    1        4.436  -1.655   1.698  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        4.659  -0.546   1.238  0.00  0.00    +0.221 C 
ATOM     22  N   LIG    1        3.878   0.229   0.383  0.00  0.00    -0.256 N 
ATOM     23  C   LIG    1        4.547   1.452   0.015  0.00  0.00    +0.115 C 
ATOM     24  C   LIG    1        5.587   1.635   1.100  0.00  0.00    +0.029 C 
ATOM     25  C   LIG    1        5.941   0.212   1.493  0.00  0.00    +0.098 C 
ENDBRANCH  14  22
ENDBRANCH   1  17
TORSDOF 3