REMARK  Name = BDB049642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.471  -0.154  -0.745  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.088   1.069  -0.470  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.464   1.010  -0.416  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -3.867   0.102  -0.221  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.449   2.096  -0.269  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.366   2.090  -0.287  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -5.699   1.774   0.008  0.00  0.00    +0.145 A 
ATOM      8  F   LIG    1       -6.054   0.488   0.168  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -6.672   2.760   0.145  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -6.316   4.096  -0.023  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -4.994   4.424  -0.328  0.00  0.00    +0.043 A 
ATOM     12 CL   LIG    1       -4.564   6.077  -0.547  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1       -4.019   3.430  -0.463  0.00  0.00    +0.046 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        2.799   0.547  -0.258  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.068  -0.191   0.787  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.557   0.054   0.742  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -0.002  -0.292  -0.638  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        0.758   0.482  -1.712  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.260   0.217  -1.594  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.282   0.356  -0.213  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.962   1.497  -0.994  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.868   0.297   1.227  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.949  -1.075   0.655  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.392   0.161   1.346  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -2.172  -1.274  -1.382  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.482  -2.426  -0.451  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -2.696  -3.701  -1.000  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.018  -4.787  -0.183  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.138  -4.613   1.193  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.941  -3.353   1.752  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.619  -2.266   0.936  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7