REMARK  Name = BDB009122
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.854  -2.330   0.398  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.708  -1.922   0.558  0.00  0.00    +0.268 A 
ATOM      3  C   LIG    1       -3.315  -0.534   0.208  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -4.387   0.338  -0.384  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1       -3.828   1.602  -1.040  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -2.774   2.252  -0.154  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -1.614   1.293   0.133  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -2.054  -0.116   0.420  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -1.095  -1.131   0.954  0.00  0.00    +0.065 A 
ATOM     10  N   LIG    1       -1.421  -2.351   1.257  0.00  0.00    -0.176 NA
ATOM     11  N   LIG    1       -2.718  -2.713   1.074  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -2.964  -3.667   1.316  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        0.372  -0.770   1.117  0.00  0.00    +0.062 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.138  -1.133  -0.153  0.00  0.00    +0.041 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.592  -0.742  -0.055  0.00  0.00    -0.045 A 
ATOM     16  C   LIG    1        3.017   0.523  -0.483  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        4.369   0.881  -0.368  0.00  0.00    +0.126 A 
ATOM     18  C   LIG    1        5.301  -0.012   0.173  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        4.875  -1.268   0.604  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        3.529  -1.629   0.493  0.00  0.00    +0.004 A 
BRANCH  17  21
ATOM     21  N   LIG    1        4.808   2.208  -0.817  0.00  0.00    +0.056 N 
ATOM     22  O   LIG    1        6.018   2.469  -0.751  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1        3.942   2.992  -1.232  0.00  0.00    -0.126 OA
ENDBRANCH  17  21
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 4