REMARK  Name = BDB019035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.441  -0.002   0.104  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.766  -0.895   0.977  0.00  0.00    +0.097 A 
ATOM      3  N   LIG    1        0.404  -1.033   0.791  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -0.043  -1.910   1.748  0.00  0.00    +0.208 A 
ATOM      5  N   LIG    1        0.936  -2.358   2.503  0.00  0.00    -0.224 NA
ATOM      6  C   LIG    1       -0.317  -0.349  -0.211  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.320   0.481  -0.993  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        2.068  -1.728   2.034  0.00  0.00    +0.166 A 
ATOM      9  C   LIG    1        1.678   0.643  -0.806  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.160   1.482   1.138  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.922   0.919   0.549  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1        5.964   0.281  -0.625  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1        4.696  -0.127  -0.828  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        4.410  -0.931  -1.996  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        3.828   0.294   0.153  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1        4.612   0.958   1.073  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  N   LIG    1       -1.672  -0.574  -0.332  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -2.026  -1.468  -0.011  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.412  -0.060  -1.473  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.882  -0.224  -1.222  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.596   0.639  -0.396  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -4.156   1.864   0.314  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.371   2.078   1.217  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.515   1.409   0.637  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.958   0.463  -0.183  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.669  -0.565  -0.769  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.970  -1.455  -1.584  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.596  -1.282  -1.799  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.955  -2.165  -2.579  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   8  30
ATOM     30  C   LIG    1        3.343  -1.964   2.643  0.00  0.00    +0.121 C 
ATOM     31  N   LIG    1        4.378  -2.149   3.138  0.00  0.00    -0.189 NA
ENDBRANCH   8  30
TORSDOF 5