REMARK  Name = BDB025119
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.759   0.739   0.924  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.904   0.853  -0.187  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.354   1.588  -1.395  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.460   0.817  -2.139  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        4.249   1.897  -2.418  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.964   2.276  -1.719  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.554   1.108  -0.872  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.206   0.702  -0.773  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.102   1.227  -1.395  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1       -0.931   0.527  -0.966  0.00  0.00    +0.137 A 
ATOM     11  N   LIG    1       -0.517  -0.484  -0.115  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.850  -0.364   0.044  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        1.797  -1.057   0.801  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.132  -0.642   0.705  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.531   0.427  -0.111  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.498   0.193   1.991  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.379  -1.496   0.491  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -1.012  -2.929   0.070  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -2.042  -3.958   0.572  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -2.749  -3.533   1.866  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -1.862  -2.644   2.729  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -1.497  -1.340   2.019  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.078  -4.302  -0.476  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -3.566  -5.406  -0.656  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.503  -3.249  -1.197  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -4.177  -3.638  -1.796  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.858   1.300   1.830  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.961   1.359   0.720  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.349   0.775  -1.367  0.00  0.00    +0.234 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -3.100   0.999  -0.173  0.00  0.00    -0.369 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -4.475   1.240  -0.428  0.00  0.00    +0.119 C 
ATOM     32  C   LIG    1       -4.748   2.639  -0.970  0.00  0.00    +0.031 C 
ATOM     33  C   LIG    1       -6.181   2.956  -0.551  0.00  0.00    +0.003 C 
ATOM     34  C   LIG    1       -6.546   1.942   0.534  0.00  0.00    +0.003 C 
ATOM     35  C   LIG    1       -5.243   1.244   0.887  0.00  0.00    +0.031 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7