REMARK  Name = BDB017124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.098   0.308  -0.080  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        2.222   1.339   0.292  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        0.860   1.275  -0.019  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        0.340   0.172  -0.705  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.203  -0.856  -1.095  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        2.566  -0.787  -0.779  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        8.748   0.583   1.224  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        7.295   0.499   0.863  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1        6.531  -0.608   1.243  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        5.168  -0.670   0.933  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.532   0.375   0.246  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        5.306   1.488  -0.117  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        6.669   1.553   0.191  0.00  0.00    +0.004 A 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  C   LIG    1       -1.123   0.159  -1.017  0.00  0.00    +0.167 C 
ATOM     15  O   LIG    1       -1.690   1.246  -1.111  0.00  0.00    -0.292 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -1.839  -1.177  -1.246  0.00  0.00    +0.074 C 
ATOM     17  C   LIG    1       -3.303  -1.009  -1.711  0.00  0.00    +0.095 C 
ATOM     18  N   LIG    1       -4.341  -0.841  -0.678  0.00  0.00    -0.301 NA
ATOM     19  C   LIG    1       -4.192  -1.815   0.404  0.00  0.00    +0.084 C 
ATOM     20  C   LIG    1       -2.793  -1.839   1.014  0.00  0.00    +0.016 C 
ATOM     21  C   LIG    1       -1.741  -2.132  -0.049  0.00  0.00    +0.014 C 
BRANCH  18  22
ATOM     22  C   LIG    1       -4.451   0.549  -0.218  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.790   0.781   0.431  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -7.057   0.759  -0.388  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.552   2.059   0.173  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH  14  16
ENDBRANCH   4  14
TORSDOF 5