REMARK  Name = BDB017222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.174   1.418   1.479  0.00  0.00    +0.167 C 
ATOM      2  O   LIG    1       -0.482   2.303   2.278  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        5.659   0.551  -1.405  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.249   1.385  -0.361  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.918   1.392   0.087  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        2.977   0.541  -0.529  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        1.641   0.543  -0.084  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.234   1.377   0.965  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        2.176   2.222   1.566  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.398  -0.293  -1.577  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.504   2.229   1.133  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        4.728  -0.288  -2.012  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        7.452  -0.173  -2.790  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        6.983   0.653  -1.732  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.187   0.364   1.026  0.00  0.00    +0.064 C 
ATOM     16  C   LIG    1       -0.926  -1.017   1.673  0.00  0.00    -0.003 C 
ATOM     17  C   LIG    1       -0.841  -0.965   3.206  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1       -1.995  -2.027   1.220  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -3.422  -1.528   1.453  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -3.688  -0.159   0.804  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1       -2.629   0.850   1.285  0.00  0.00    +0.030 C 
BRANCH  20  22
ATOM     22  N   LIG    1       -3.658  -0.221  -0.670  0.00  0.00    -0.310 NA
ATOM     23  H   LIG    1       -3.617   0.732  -1.034  0.00  0.00    +0.122 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.807  -0.924  -1.253  0.00  0.00    +0.054 C 
ATOM     25  C   LIG    1       -6.117  -0.210  -1.431  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -5.274  -0.534  -2.629  0.00  0.00    +0.020 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   1  15
TORSDOF 5