REMARK  Name = BDB017240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.032  -1.045   0.547  0.00  0.00    +0.168 C 
ATOM      2  O   LIG    1        0.051  -2.241   0.840  0.00  0.00    -0.292 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.286   0.645  -0.352  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.128   1.427  -0.309  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.865   0.849  -0.098  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.766  -0.547   0.073  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.504  -1.127   0.283  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.339  -0.344   0.323  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        1.447   1.039   0.158  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.933  -1.325   0.029  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        2.699   1.628  -0.052  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        6.184  -0.734  -0.182  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.649   0.598  -0.613  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.440   1.347  -0.565  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -1.285  -0.284   0.385  0.00  0.00    +0.078 C 
ATOM     16  C   LIG    1       -1.655   0.008  -1.095  0.00  0.00    +0.005 C 
ATOM     17  C   LIG    1       -3.092   0.565  -1.177  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -4.119  -0.168  -0.310  0.00  0.00    +0.085 C 
ATOM     19  N   LIG    1       -3.723  -0.345   1.092  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -2.404  -0.998   1.170  0.00  0.00    +0.096 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -3.755   0.924   1.833  0.00  0.00    +0.057 C 
ATOM     22  C   LIG    1       -5.227   1.361   2.072  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -4.798   1.726   3.509  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -3.699   0.652   3.362  0.00  0.00    +0.019 C 
ENDBRANCH  19  21
BRANCH  16  25
ATOM     25  C   LIG    1       -1.322  -1.114  -2.132  0.00  0.00    -0.013 C 
ATOM     26  C   LIG    1       -2.183  -2.373  -2.070  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -1.347  -0.568  -3.570  0.00  0.00    +0.007 C 
ENDBRANCH  16  25
ENDBRANCH   1  15
TORSDOF 5