REMARK  Name = BDB059611
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.281   0.579  -2.467  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1       -0.191   1.599  -2.478  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.831  -0.059  -1.832  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1        1.597   0.674  -0.918  0.00  0.00    +0.153 A 
ATOM      5  C   LIG    1        2.637   0.049  -0.218  0.00  0.00    +0.103 A 
ATOM      6  C   LIG    1        2.946  -1.290  -0.489  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        2.179  -2.003  -1.413  0.00  0.00    +0.044 A 
ATOM      8 CL   LIG    1        2.554  -3.654  -1.723  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.115  -1.399  -2.078  0.00  0.00    +0.048 A 
BRANCH   4  10
ATOM     10  O   LIG    1        1.267   1.999  -0.749  0.00  0.00    -0.504 OA
ATOM     11  H   LIG    1        1.979   2.437  -0.227  0.00  0.00    +0.292 HD
ENDBRANCH   4  10
BRANCH   5  12
ATOM     12  C   LIG    1        3.398   0.832   0.778  0.00  0.00    +0.340 C 
ATOM     13  O   LIG    1        3.498   2.046   0.679  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        3.897   0.127   1.809  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        3.580  -0.791   1.898  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH   5  12
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1       -1.832   0.159  -1.918  0.00  0.00    +0.076 S 
ATOM     17  O   LIG    1       -2.008  -1.276  -1.993  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -2.747   1.037  -2.621  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -1.414  -0.178   0.818  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1       -1.840   0.666  -0.212  0.00  0.00    +0.151 A 
ATOM     21  C   LIG    1       -2.351   1.937   0.092  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1       -2.397   2.365   1.417  0.00  0.00    +0.020 A 
ATOM     23 BR   LIG    1       -3.071   4.082   1.825  0.00  0.00    -0.050 Br
ATOM     24  C   LIG    1       -1.944   1.540   2.444  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1       -1.447   0.271   2.143  0.00  0.00    +0.049 A 
BRANCH  19  27
ATOM     26  C   LIG    1       -1.748  -2.456   0.921  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -0.852  -1.399   0.567  0.00  0.00    -0.493 OA
ENDBRANCH  19  27
ENDBRANCH  16  20
ENDBRANCH   1  16
TORSDOF 7