REMARK  Name = BDB019100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.385   0.098  -0.413  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        1.846   0.793   0.706  0.00  0.00    +0.096 A 
ATOM      3  N   LIG    1        0.470   0.893   0.766  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1        0.166   1.640   1.875  0.00  0.00    +0.208 A 
ATOM      5  N   LIG    1        1.244   1.968   2.557  0.00  0.00    -0.224 NA
ATOM      6  C   LIG    1       -0.383   0.329  -0.199  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.122  -0.284  -1.235  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        2.296   1.445   1.836  0.00  0.00    +0.166 A 
ATOM      9  C   LIG    1        1.497  -0.381  -1.313  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.946  -0.855  -1.416  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1        6.494  -0.577  -1.169  0.00  0.00    +0.038 A 
ATOM     12  N   LIG    1        5.696  -1.635  -0.894  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1        4.388  -1.379  -0.653  0.00  0.00    +0.119 A 
ATOM     14  C   LIG    1        3.817  -0.109  -0.684  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        4.660   0.962  -0.983  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        6.014   0.729  -1.223  0.00  0.00    +0.023 A 
ENDBRANCH   1  14
BRANCH   6  17
ATOM     17  N   LIG    1       -1.749   0.438  -0.077  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -2.153   0.219  -0.987  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.432  -0.377   0.924  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.888  -0.022   0.946  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.817  -0.604   0.089  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.656  -1.682  -0.916  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -6.001  -1.559  -1.633  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.949  -0.923  -0.747  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -6.159  -0.244   0.143  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.636   0.698   1.032  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.719   1.308   1.886  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.365   0.951   1.835  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.511   1.554   2.674  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   8  30
ATOM     30  C   LIG    1        3.646   1.630   2.278  0.00  0.00    +0.121 C 
ATOM     31  N   LIG    1        4.747   1.781   2.617  0.00  0.00    -0.189 NA
ENDBRANCH   8  30
TORSDOF 5