REMARK  Name = BDB016589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.681  -0.363   1.431  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1       -0.790   0.567   0.578  0.00  0.00    +0.107 C 
ATOM      3  N   LIG    1        0.596   0.083   0.471  0.00  0.00    -0.296 NA
ATOM      4  C   LIG    1        1.119  -0.487   1.722  0.00  0.00    +0.085 C 
ATOM      5  C   LIG    1        0.338  -0.073   2.967  0.00  0.00    +0.017 C 
ATOM      6  C   LIG    1       -1.138  -0.460   2.868  0.00  0.00    +0.025 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -3.064   0.117   1.473  0.00  0.00    -0.337 N 
ATOM      8  H   LIG    1       -3.201   0.929   2.078  0.00  0.00    +0.146 HD
BRANCH   7  15
ATOM      9  C   LIG    1       -6.588  -0.366  -2.926  0.00  0.00    +0.176 C 
ATOM     10  N   LIG    1       -5.710  -0.167  -1.788  0.00  0.00    -0.231 N 
ATOM     11  C   LIG    1       -6.012   0.802  -0.837  0.00  0.00    +0.287 A 
ATOM     12  O   LIG    1       -6.988   1.548  -0.916  0.00  0.00    -0.265 OA
ATOM     13  C   LIG    1       -5.058   0.899   0.305  0.00  0.00    +0.129 A 
ATOM     14 CL   LIG    1       -5.356   2.152   1.470  0.00  0.00    -0.076 Cl
ATOM     15  C   LIG    1       -4.000   0.084   0.438  0.00  0.00    +0.071 A 
ATOM     16  C   LIG    1       -3.905  -0.936  -0.638  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1       -4.678  -1.061  -1.666  0.00  0.00    -0.175 NA
ENDBRANCH   7  15
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  C   LIG    1        1.465   1.127  -0.095  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.774   0.587  -0.632  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.997   1.126  -0.206  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1        5.212   0.645  -0.706  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1        5.205  -0.367  -1.666  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        3.994  -0.908  -2.103  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        2.787  -0.436  -1.589  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  O   LIG    1        6.322   1.260  -0.197  0.00  0.00    -0.434 OA
BRANCH  25  26
ATOM     26  C   LIG    1        7.556   0.592  -0.393  0.00  0.00    +0.541 C 
ATOM     27  F   LIG    1        7.949   0.748  -1.681  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        8.483   1.222   0.373  0.00  0.00    -0.166 F 
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6