REMARK  Name = BDB065289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.617   0.088  -0.037  0.00  0.00    +0.015 A 
ATOM      2  C   LIG    1        4.713  -0.945  -0.308  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        3.333  -0.744  -0.149  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        2.861   0.520   0.287  0.00  0.00    -0.014 A 
ATOM      5  C   LIG    1        1.483   0.722   0.445  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        0.591  -0.310   0.157  0.00  0.00    +0.133 A 
ATOM      7  C   LIG    1        1.041  -1.561  -0.253  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        3.781   1.546   0.553  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        2.410  -1.772  -0.414  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        5.152   1.334   0.389  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        7.658  -1.251   0.049  0.00  0.00    -0.285 NA
ATOM     12  H   LIG    1        6.996  -1.925   0.443  0.00  0.00    +0.188 HD
ATOM     13  C   LIG    1        7.077  -0.125  -0.217  0.00  0.00    +0.116 C 
BRANCH  13  14
ATOM     14  N   LIG    1        7.862   0.883  -0.689  0.00  0.00    -0.343 N 
ATOM     15  H   LIG    1        7.443   1.472  -1.399  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1        8.773   0.529  -0.966  0.00  0.00    +0.144 HD
ENDBRANCH  13  14
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  O   LIG    1       -0.768  -0.065   0.380  0.00  0.00    -0.422 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.573  -0.098  -0.745  0.00  0.00    +0.351 C 
ATOM     19  O   LIG    1       -1.238  -0.407  -1.882  0.00  0.00    -0.244 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -2.966   0.221  -0.366  0.00  0.00    +0.144 A 
ATOM     21  C   LIG    1       -3.281   1.220   0.675  0.00  0.00    +0.351 A 
ATOM     22  O   LIG    1       -2.420   1.903   1.219  0.00  0.00    -0.244 OA
ATOM     23  O   LIG    1       -4.625   1.378   1.004  0.00  0.00    -0.422 OA
ATOM     24  C   LIG    1       -5.641   0.689   0.317  0.00  0.00    +0.139 A 
ATOM     25  C   LIG    1       -5.329  -0.207  -0.700  0.00  0.00    +0.018 A 
ATOM     26  C   LIG    1       -6.367  -0.863  -1.364  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -7.695  -0.615  -1.002  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -7.989   0.287   0.024  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -6.958   0.946   0.690  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1       -3.932  -0.438  -1.027  0.00  0.00    +0.033 A 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 5