REMARK  Name = BDB065199
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.151  -3.856   1.023  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -0.479  -2.520   0.736  0.00  0.00    -0.014 A 
ATOM      3  C   LIG    1       -1.869  -2.365   0.533  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -2.480  -1.137   0.255  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -3.880  -1.391   0.126  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -4.090  -2.734   0.314  0.00  0.00    +0.083 A 
ATOM      7  C   LIG    1       -1.684   0.030   0.176  0.00  0.00    -0.008 A 
ATOM      8  C   LIG    1       -0.301  -0.093   0.391  0.00  0.00    +0.022 A 
ATOM      9  N   LIG    1       -2.876  -3.312   0.562  0.00  0.00    -0.360 N 
ATOM     10  H   LIG    1       -2.735  -4.294   0.752  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1        0.292  -1.334   0.664  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.299   1.330  -0.110  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1       -2.893   1.589  -1.357  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -3.469   2.833  -1.632  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.453   3.832  -0.663  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -4.159   5.364  -1.001  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.868   3.598   0.579  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.293   2.353   0.852  0.00  0.00    +0.010 A 
ENDBRANCH   7  12
BRANCH  11  19
ATOM     19  C   LIG    1        1.772  -1.378   0.861  0.00  0.00    +0.263 C 
ATOM     20  N   LIG    1        2.488  -0.557  -0.033  0.00  0.00    -0.186 N 
ATOM     21  H   LIG    1        2.047  -0.337  -0.920  0.00  0.00    +0.176 HD
ATOM     22  O   LIG    1        2.283  -2.065   1.727  0.00  0.00    -0.269 OA
BRANCH  20  23
ATOM     23  S   LIG    1        4.158  -0.563  -0.098  0.00  0.00    +0.048 S 
ATOM     24  O   LIG    1        4.553  -1.721  -0.868  0.00  0.00    -0.155 OA
ATOM     25  O   LIG    1        4.690  -0.272   1.214  0.00  0.00    -0.155 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.568   0.857  -1.173  0.00  0.00    +0.151 C 
ATOM     27  C   LIG    1        4.275   2.199  -0.554  0.00  0.00    +0.030 C 
ATOM     28  C   LIG    1        5.699   1.727  -0.696  0.00  0.00    +0.030 C 
ENDBRANCH  23  26
ENDBRANCH  20  23
ENDBRANCH  11  19
TORSDOF 4