REMARK  Name = BDB002789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.245   0.601  -0.808  0.00  0.00    +0.072 A 
ATOM      2  N   LIG    1        0.612   1.721  -1.242  0.00  0.00    -0.247 NA
ATOM      3  C   LIG    1       -0.717   1.709  -1.438  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.514   0.571  -1.219  0.00  0.00    +0.011 A 
ATOM      5  C   LIG    1       -2.905   0.640  -1.493  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -3.489   1.822  -1.944  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.698   2.945  -2.135  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.832  -0.572  -0.751  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -1.326   2.874  -1.885  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        0.551  -0.572  -0.568  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        5.515   0.977  -0.301  0.00  0.00    +0.162 A 
ATOM     12  C   LIG    1        4.854   1.690  -1.318  0.00  0.00    +0.162 A 
ATOM     13  C   LIG    1        3.466   1.558  -1.467  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        2.705   0.724  -0.624  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        3.388   0.035   0.391  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1        4.774   0.156   0.550  0.00  0.00    +0.050 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.571   0.455   0.798  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        6.874   1.155  -0.222  0.00  0.00    -0.491 OA
ENDBRANCH  11  18
BRANCH  12  19
ATOM     19  O   LIG    1        5.647   2.481  -2.115  0.00  0.00    -0.491 OA
ATOM     20  C   LIG    1        5.002   3.287  -3.090  0.00  0.00    +0.277 C 
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   8  21
ATOM     21  C   LIG    1       -1.534  -1.836  -0.464  0.00  0.00    +0.202 C 
ATOM     22  O   LIG    1       -1.346  -2.777  -1.232  0.00  0.00    -0.286 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -2.478  -1.899   0.700  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -2.389  -0.928   1.817  0.00  0.00    +0.269 A 
ATOM     25  O   LIG    1       -1.357  -0.284   2.000  0.00  0.00    -0.267 OA
ATOM     26  N   LIG    1       -3.497  -0.813   2.622  0.00  0.00    -0.263 N 
ATOM     27  C   LIG    1       -3.493   0.225   3.637  0.00  0.00    +0.157 C 
ATOM     28  C   LIG    1       -4.435  -1.821   2.743  0.00  0.00    +0.333 A 
ATOM     29  O   LIG    1       -5.279  -1.814   3.640  0.00  0.00    -0.246 OA
ATOM     30  N   LIG    1       -4.349  -2.846   1.803  0.00  0.00    -0.284 N 
ATOM     31  C   LIG    1       -5.292  -3.956   1.939  0.00  0.00    +0.155 C 
ATOM     32  C   LIG    1       -3.430  -2.860   0.757  0.00  0.00    +0.116 A 
BRANCH  32  33
ATOM     33  N   LIG    1       -3.526  -3.873  -0.189  0.00  0.00    -0.344 N 
ATOM     34  H   LIG    1       -4.463  -3.979  -0.565  0.00  0.00    +0.144 HD
ATOM     35  H   LIG    1       -2.835  -3.785  -0.947  0.00  0.00    +0.144 HD
ENDBRANCH  32  33
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 6