REMARK  Name = BDB017140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.618   0.199  -0.645  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.371   0.802   0.368  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        2.743   0.538   0.506  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.397  -0.341  -0.390  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1        4.793  -0.592  -0.221  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        5.503   0.038   0.825  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        4.834   0.902   1.692  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        5.510  -1.528  -1.167  0.00  0.00    +0.048 C 
ATOM      9  C   LIG    1        2.614  -0.922  -1.416  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        3.471   1.148   1.533  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        1.247  -0.655  -1.547  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -0.833   0.527  -0.738  0.00  0.00    +0.167 C 
ATOM     13  O   LIG    1       -1.170   1.667  -0.423  0.00  0.00    -0.292 OA
BRANCH  12  16
ATOM     14  N   LIG    1       -3.905  -0.008   0.053  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -3.267  -0.006  -1.276  0.00  0.00    +0.095 C 
ATOM     16  C   LIG    1       -1.814  -0.526  -1.275  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1       -1.729  -1.874  -0.548  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -2.427  -1.830   0.806  0.00  0.00    +0.016 C 
ATOM     19  C   LIG    1       -3.865  -1.339   0.667  0.00  0.00    +0.084 C 
BRANCH  14  20
ATOM     20  C   LIG    1       -5.289   0.494   0.012  0.00  0.00    +0.084 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -6.807   2.500  -0.175  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -5.376   1.995  -0.294  0.00  0.00    +0.012 C 
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH  12  16
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  O   LIG    1        6.840  -0.254   0.915  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1        7.590   0.378   1.944  0.00  0.00    +0.277 C 
ENDBRANCH   6  23
TORSDOF 5