REMARK  Name = BDB059549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.040  -0.479  -0.268  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1        0.219  -1.351   0.239  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -3.612  -0.450   0.551  0.00  0.00    +0.103 A 
ATOM      4  C   LIG    1       -2.234  -0.644   0.669  0.00  0.00    +0.153 A 
ATOM      5  C   LIG    1       -1.381  -0.285  -0.386  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1       -1.886   0.319  -1.533  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -3.259   0.516  -1.647  0.00  0.00    +0.044 A 
ATOM      8 CL   LIG    1       -3.899   1.244  -3.069  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -4.123   0.131  -0.620  0.00  0.00    +0.038 A 
BRANCH   3  11
ATOM     10  O   LIG    1       -4.273  -0.857   2.847  0.00  0.00    -0.245 OA
ATOM     11  C   LIG    1       -4.528  -0.805   1.660  0.00  0.00    +0.340 C 
BRANCH  11  12
ATOM     12  O   LIG    1       -5.766  -1.085   1.207  0.00  0.00    -0.477 OA
ATOM     13  H   LIG    1       -6.259  -1.318   2.022  0.00  0.00    +0.295 HD
ENDBRANCH  11  12
ENDBRANCH   3  11
BRANCH   4  14
ATOM     14  O   LIG    1       -1.685  -1.216   1.786  0.00  0.00    -0.504 OA
ATOM     15  H   LIG    1       -1.052  -0.567   2.170  0.00  0.00    +0.292 HD
ENDBRANCH   4  14
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  S   LIG    1        0.807   0.781   0.591  0.00  0.00    +0.076 S 
ATOM     17  O   LIG    1        0.501   0.493   1.983  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        0.474   2.062   0.010  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.524   0.458   0.323  0.00  0.00    +0.151 A 
ATOM     20  C   LIG    1        3.062   0.453  -0.965  0.00  0.00    +0.143 A 
ATOM     21  C   LIG    1        4.424   0.207  -1.150  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        5.246  -0.032  -0.046  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        4.704  -0.022   1.238  0.00  0.00    +0.020 A 
ATOM     24 BR   LIG    1        5.821  -0.344   2.728  0.00  0.00    -0.050 Br
ATOM     25  C   LIG    1        3.346   0.222   1.433  0.00  0.00    +0.047 A 
BRANCH  20  26
ATOM     26  O   LIG    1        2.271   0.675  -2.052  0.00  0.00    -0.505 OA
ATOM     27  H   LIG    1        2.819   0.759  -2.851  0.00  0.00    +0.292 HD
ENDBRANCH  20  26
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7