REMARK  Name = BDB015918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.214   1.749  -0.649  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.296   0.571  -0.240  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.630   0.481  -0.058  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -2.484   1.548  -0.324  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -1.857   2.713  -0.726  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.525   2.844  -0.896  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.911   0.801  -0.761  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.517   0.732  -0.597  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.677   1.842  -0.830  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.293   3.039  -1.236  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.677   3.127  -1.402  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.481   2.013  -1.164  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.560  -3.869  -0.385  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.465  -2.430  -0.359  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.535  -1.704   0.009  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.102  -0.443  -0.087  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.755  -0.355  -0.513  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.377  -1.672  -0.683  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.936   1.502  -0.213  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -4.633   2.569   0.215  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -5.917   2.172   0.182  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.953   3.090   0.591  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -6.080   0.896  -0.260  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -4.816   0.433  -0.533  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.137  -0.762   0.404  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -2.785  -0.572   1.169  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.274  -1.873   0.679  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -2.036  -3.090   1.244  0.00  0.00    +0.059 C 
ATOM     29  C   LIG    1       -0.845  -3.293   2.210  0.00  0.00    +0.170 C 
ATOM     30  F   LIG    1       -1.161  -3.702   3.458  0.00  0.00    -0.245 F 
ATOM     31  C   LIG    1       -0.555  -1.783   2.043  0.00  0.00    +0.059 C 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 5