REMARK  Name = BDB026732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.972  -1.700   2.011  0.00  0.00    +0.211 C 
ATOM      2  C   LIG    1        0.520  -1.597   1.580  0.00  0.00    +0.245 C 
ATOM      3  O   LIG    1        1.312  -2.499   1.862  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1        0.879  -0.483   0.801  0.00  0.00    -0.289 N 
ATOM      5  C   LIG    1       -0.025   0.680   0.861  0.00  0.00    +0.139 C 
ATOM      6  C   LIG    1       -1.540   0.291   0.848  0.00  0.00    +0.174 C 
ATOM      7  O   LIG    1       -1.833  -0.573   1.956  0.00  0.00    -0.357 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        0.260   1.807  -0.129  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1        0.454   1.578  -1.499  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        0.681   2.640  -2.379  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        0.714   3.945  -1.897  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        0.996   5.251  -2.979  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        0.522   4.197  -0.542  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.294   3.135   0.337  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -2.195  -0.274  -0.408  0.00  0.00    -0.015 A 
ATOM     16  C   LIG    1       -3.517   0.110  -0.705  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -4.174  -0.393  -1.829  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -5.786   0.103  -2.169  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -3.536  -1.294  -2.674  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.235  -1.700  -2.388  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.573  -1.199  -1.262  0.00  0.00    +0.006 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1       -1.058  -2.281   3.423  0.00  0.00    +0.111 C 
BRANCH  22  24
ATOM     23  O   LIG    1        0.143  -0.317   4.207  0.00  0.00    -0.301 OA
ATOM     24  C   LIG    1       -0.382  -1.400   4.446  0.00  0.00    +0.226 C 
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  25
ATOM     25  C   LIG    1        2.321  -0.259   0.666  0.00  0.00    +0.112 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.887  -1.094  -0.448  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1        4.346  -0.953  -0.807  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        3.292  -0.483  -1.767  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 6