REMARK  Name = BDB017173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.208   0.445   0.306  0.00  0.00    -0.302 NA
ATOM      2  C   LIG    1       -1.064  -0.320   0.835  0.00  0.00    +0.095 C 
ATOM      3  C   LIG    1        0.304   0.187   0.345  0.00  0.00    +0.074 C 
ATOM      4  C   LIG    1        0.506   1.659   0.737  0.00  0.00    +0.014 C 
ATOM      5  C   LIG    1       -0.815   2.416   0.879  0.00  0.00    +0.016 C 
ATOM      6  C   LIG    1       -1.881   1.833  -0.044  0.00  0.00    +0.084 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.426  -0.677   0.916  0.00  0.00    +0.167 C 
ATOM      8  O   LIG    1        1.242  -1.435   1.868  0.00  0.00    -0.292 OA
BRANCH   7   9
ATOM      9  C   LIG    1        2.801  -0.602   0.325  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        3.847  -1.233   1.014  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        5.145  -1.193   0.507  0.00  0.00    +0.042 A 
ATOM     12 CL   LIG    1        6.423  -1.967   1.360  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        5.417  -0.530  -0.688  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        4.382   0.096  -1.381  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        3.077   0.060  -0.879  0.00  0.00    +0.011 A 
ENDBRANCH   7   9
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  C   LIG    1       -2.914  -0.226  -0.793  0.00  0.00    +0.084 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -4.774  -1.141   0.695  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -3.721  -1.458  -0.358  0.00  0.00    +0.012 C 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4