REMARK  Name = BDB026843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.037  -0.198  -0.215  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.285  -1.688   0.098  0.00  0.00    +0.014 C 
ATOM      3  C   LIG    1       -0.416  -2.624  -1.107  0.00  0.00    +0.005 C 
ATOM      4  C   LIG    1       -0.278  -4.019  -0.504  0.00  0.00    +0.000 C 
ATOM      5  C   LIG    1        0.534  -3.849   0.780  0.00  0.00    +0.000 C 
ATOM      6  C   LIG    1        0.836  -2.358   0.897  0.00  0.00    +0.005 C 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      7  O   LIG    1       -1.313   0.431  -2.170  0.00  0.00    -0.290 OA
ATOM      8  C   LIG    1       -1.282   0.383  -0.936  0.00  0.00    +0.182 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.413   0.862  -0.129  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1       -3.642   1.430  -0.614  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -4.431   1.744   0.493  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -5.703   2.320   0.384  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -6.188   2.584  -0.900  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -5.428   2.284  -2.027  0.00  0.00    +0.001 A 
ATOM     15  N   LIG    1       -3.720   1.383   1.611  0.00  0.00    -0.360 N 
ATOM     16  H   LIG    1       -4.053   1.496   2.560  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1       -4.159   1.709  -1.898  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -2.509   0.854   1.253  0.00  0.00    +0.095 A 
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  N   LIG    1        1.182  -0.007  -1.044  0.00  0.00    -0.306 NA
ATOM     20  H   LIG    1        0.935  -0.291  -1.998  0.00  0.00    +0.123 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.643   1.389  -1.109  0.00  0.00    +0.086 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.308   1.927   0.170  0.00  0.00    +0.050 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.573   1.198   0.564  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        3.562   0.275   1.618  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.728  -0.405   1.977  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.911  -0.163   1.282  0.00  0.00    +0.041 A 
ATOM     27 CL   LIG    1        7.348  -1.000   1.724  0.00  0.00    -0.084 Cl
ATOM     28  C   LIG    1        5.938   0.751   0.232  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        4.771   1.430  -0.127  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 7