REMARK  Name = BDB009581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.952   0.668   0.227  0.00  0.00    -0.294 N 
ATOM      2  C   LIG    1        0.046  -0.209   0.995  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.467   0.031   0.725  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.758   1.520   0.928  0.00  0.00    +0.023 C 
ATOM      5  C   LIG    1       -0.866   2.402   0.058  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.616   2.019   0.053  0.00  0.00    +0.220 C 
ATOM      7  O   LIG    1        1.463   2.876  -0.212  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1        0.369  -1.705   0.972  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        0.695  -2.392  -0.208  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        0.960  -3.764  -0.191  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        0.899  -4.467   1.008  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        1.225  -6.156   1.029  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        0.575  -3.809   2.191  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.310  -2.437   2.173  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -2.074  -0.482  -0.579  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -1.463  -0.322  -1.832  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -2.074  -0.808  -2.991  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -1.291  -0.611  -4.511  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -3.306  -1.451  -2.928  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.933  -1.609  -1.696  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -3.324  -1.127  -0.534  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.400   0.406   0.304  0.00  0.00    +0.108 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.530   0.023  -0.987  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        3.047   0.345  -1.083  0.00  0.00    +0.016 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   5  25
ATOM     25  C   LIG    1       -1.039   3.894   0.396  0.00  0.00    +0.133 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -0.403   4.288   1.705  0.00  0.00    +0.305 C 
ATOM     27  O   LIG    1       -0.034   3.547   2.601  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -0.313   5.625   1.839  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1        0.138   5.753   2.699  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 7