REMARK  Name = BDB017225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.159   1.039   1.004  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1       -0.470   1.790   1.929  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        5.883  -1.081  -0.441  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.435  -0.073   0.413  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        4.059   0.193   0.556  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.120  -0.570  -0.174  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        1.745  -0.305  -0.032  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.292   0.709   0.820  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        2.229   1.454   1.544  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.583  -1.580  -1.028  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.597   1.201   1.414  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        4.951  -1.830  -1.159  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.180  -0.702   0.047  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.186  -1.431  -0.663  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.203   0.485   0.031  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1       -1.194   1.301  -1.290  0.00  0.00    -0.001 C 
ATOM     17  C   LIG    1       -1.084   0.383  -2.514  0.00  0.00    +0.008 C 
ATOM     18  C   LIG    1       -2.447   2.181  -1.386  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -3.751   1.392  -1.203  0.00  0.00    +0.084 C 
ATOM     20  N   LIG    1       -3.631   0.241  -0.290  0.00  0.00    -0.301 NA
ATOM     21  C   LIG    1       -2.590   0.485   0.716  0.00  0.00    +0.096 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -4.935  -0.076   0.301  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.928  -1.460   0.882  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -4.783  -1.689   2.367  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.107  -1.929   1.700  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  15
TORSDOF 5