REMARK  Name = BDB045686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.873  -1.040   1.075  0.00  0.00    +0.213 A 
ATOM      2  N   LIG    1        3.065  -0.010   0.813  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1        2.085  -0.206  -0.101  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1        1.239   0.968  -0.394  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.139   0.877  -0.694  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -0.889  -0.424  -0.648  0.00  0.00    +0.076 C 
ATOM      7  N   LIG    1       -0.473  -1.539  -1.155  0.00  0.00    -0.278 NA
ATOM      8  C   LIG    1        0.846  -1.609  -1.769  0.00  0.00    +0.181 C 
ATOM      9  C   LIG    1       -0.870   2.027  -1.050  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -0.253   3.274  -1.065  0.00  0.00    +0.042 A 
ATOM     11 CL   LIG    1       -1.159   4.672  -1.490  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        1.091   3.394  -0.737  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        1.826   2.252  -0.409  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.922  -1.412  -0.755  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1        2.798  -2.409  -0.391  0.00  0.00    +0.122 A 
ATOM     16  N   LIG    1        3.776  -2.248   0.519  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  17
ATOM     17  C   LIG    1       -2.228  -0.453   0.017  0.00  0.00    +0.036 A 
ATOM     18  C   LIG    1       -2.475   0.248   1.199  0.00  0.00    +0.133 A 
ATOM     19  F   LIG    1       -1.512   0.969   1.792  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -3.729   0.203   1.805  0.00  0.00    +0.039 A 
ATOM     21  C   LIG    1       -4.748  -0.560   1.234  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -4.507  -1.280   0.063  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -3.249  -1.232  -0.543  0.00  0.00    +0.013 A 
ENDBRANCH   6  17
BRANCH   1  24
ATOM     24  N   LIG    1        4.856  -0.853   2.024  0.00  0.00    -0.327 N 
ATOM     25  H   LIG    1        4.571  -0.122   2.661  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        5.101  -1.746   2.427  0.00  0.00    +0.145 HD
ENDBRANCH   1  24
TORSDOF 2