REMARK  Name = BDB040523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.729   0.130   2.192  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.729   0.271   1.849  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.337   1.523   1.778  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.690   1.642   1.430  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        3.298   3.266   1.346  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.496   0.511   1.143  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.852  -0.742   1.188  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        3.624  -2.238   0.794  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.496  -0.854   1.537  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        4.968   0.719   0.783  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        5.945  -0.323   1.308  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        6.083  -0.551   2.509  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        6.679  -1.019   0.378  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        7.316  -1.708   0.755  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        6.445  -1.117  -0.970  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        7.043  -1.939  -1.659  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        5.369  -0.224  -1.537  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.200   1.031  -0.701  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -2.006  -1.105   0.477  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.526   0.084   0.991  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.797   0.956   0.559  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.725  -2.192   0.979  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -3.457  -2.322  -1.191  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -2.808  -0.967  -0.843  0.00  0.00    +0.068 C 
ATOM     25  C   LIG    1       -1.762  -0.646  -1.934  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.928   0.079  -0.729  0.00  0.00    -0.004 A 
ATOM     27  C   LIG    1       -4.787   0.146   0.394  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1       -5.796   1.095   0.448  0.00  0.00    +0.155 A 
ATOM     29  O   LIG    1       -6.461   0.938   1.630  0.00  0.00    -0.442 OA
ATOM     30  C   LIG    1       -5.816  -0.104   2.223  0.00  0.00    +0.309 A 
ATOM     31  C   LIG    1       -6.065   2.029  -0.539  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1       -5.236   1.967  -1.659  0.00  0.00    +0.004 A 
ATOM     33  N   LIG    1       -4.812  -0.609   1.542  0.00  0.00    -0.216 NA
ATOM     34  C   LIG    1       -4.203   1.021  -1.755  0.00  0.00    +0.007 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5