REMARK  Name = BDB026832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.339  -0.261   0.037  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.259   0.547  -1.252  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.061   1.682  -1.457  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.965   2.416  -2.640  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.062   2.032  -3.629  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        0.747   0.914  -3.437  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        0.651   0.177  -2.256  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -2.516   0.031   1.079  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -1.812  -0.669   0.341  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.361  -1.878  -0.295  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -3.668  -2.442  -0.095  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.769  -3.578  -0.899  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.918  -4.377  -0.951  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -6.004  -4.005  -0.154  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.939  -2.879   0.662  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -2.576  -3.706  -1.567  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -2.368  -4.444  -2.226  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -4.782  -2.092   0.700  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -1.723  -2.695  -1.214  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        0.206   0.467   1.212  0.00  0.00    -0.303 NA
ATOM     21  H   LIG    1       -0.390   1.278   1.389  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.607   0.857   1.071  0.00  0.00    +0.086 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.110   1.494   2.375  0.00  0.00    +0.050 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.564   1.890   2.279  0.00  0.00    -0.045 A 
ATOM     25  C   LIG    1        3.930   3.118   1.708  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        5.278   3.481   1.601  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1        5.643   5.010   0.882  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        6.271   2.614   2.067  0.00  0.00    +0.059 A 
ATOM     29 CL   LIG    1        7.954   2.993   1.969  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        5.913   1.388   2.633  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        4.567   1.026   2.736  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7