REMARK  Name = BDB055897
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.387  -1.076   1.241  0.00  0.00    +0.038 C 
ATOM      2  C   LIG    1       -0.837  -0.281   0.680  0.00  0.00    +0.057 C 
ATOM      3  C   LIG    1       -2.145  -0.643   1.391  0.00  0.00    -0.029 C 
ATOM      4  C   LIG    1       -2.195  -1.361   2.526  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -0.957  -1.785   3.215  0.00  0.00    +0.157 C 
ATOM      6  O   LIG    1       -1.031  -2.551   4.171  0.00  0.00    -0.293 OA
ATOM      7  C   LIG    1        0.344  -1.172   2.769  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.918  -0.472  -0.840  0.00  0.00    -0.039 A 
ATOM      9  C   LIG    1       -1.301  -1.699  -1.408  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -1.355  -1.855  -2.795  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.021  -0.788  -3.626  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -1.084  -0.983  -5.334  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -0.632   0.433  -3.082  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.580   0.591  -1.695  0.00  0.00    +0.005 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -3.421  -0.137   0.831  0.00  0.00    -0.021 A 
ATOM     16  C   LIG    1       -4.482  -1.015   0.557  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -5.679  -0.539   0.013  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -5.823   0.818  -0.260  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -7.295   1.405  -0.929  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -4.781   1.703   0.005  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -3.584   1.227   0.548  0.00  0.00    +0.009 A 
ENDBRANCH   3  15
BRANCH   1  25
ATOM     22  C   LIG    1        4.161   0.551  -0.183  0.00  0.00    +0.161 A 
ATOM     23  C   LIG    1        3.386   1.288   0.732  0.00  0.00    +0.162 A 
ATOM     24  C   LIG    1        2.172   0.763   1.195  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        1.719  -0.498   0.771  0.00  0.00    -0.039 A 
ATOM     26  C   LIG    1        2.506  -1.222  -0.133  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        3.713  -0.703  -0.607  0.00  0.00    +0.049 A 
BRANCH  22  29
ATOM     28  C   LIG    1        6.125   0.433  -1.538  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        5.330   1.139  -0.597  0.00  0.00    -0.491 OA
ENDBRANCH  22  29
BRANCH  23  30
ATOM     30  O   LIG    1        3.886   2.515   1.096  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        3.254   3.192   2.172  0.00  0.00    +0.277 C 
ENDBRANCH  23  30
ENDBRANCH   1  25
TORSDOF 5