REMARK  Name = BDB051983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.814  -0.504  -0.649  0.00  0.00    +0.117 A 
ATOM      2  S   LIG    1       -1.534  -1.485   0.563  0.00  0.00    -0.068 S 
ATOM      3  C   LIG    1       -3.074  -0.796   0.214  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.931   0.145  -0.798  0.00  0.00    +0.086 A 
ATOM      5  N   LIG    1       -1.645   0.278  -1.305  0.00  0.00    -0.240 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.253  -1.285   0.933  0.00  0.00    -0.009 A 
ATOM      7  C   LIG    1       -4.333  -1.195   2.331  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -5.468  -1.651   3.009  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -6.529  -2.199   2.291  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1       -7.926  -2.758   3.124  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -6.466  -2.295   0.903  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -5.331  -1.839   0.227  0.00  0.00    +0.010 A 
ENDBRANCH   3   6
BRANCH   4  13
ATOM     13  C   LIG    1       -4.010   0.949  -1.363  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.951   1.598  -0.552  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -5.972   2.364  -1.124  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.048   2.493  -2.509  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -7.304   3.435  -3.212  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -5.110   1.869  -3.328  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -4.091   1.103  -2.755  0.00  0.00    +0.011 A 
ENDBRANCH   4  13
BRANCH   1  20
ATOM     20  C   LIG    1        0.658  -0.600  -0.924  0.00  0.00    +0.291 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.337  -0.022   0.193  0.00  0.00    -0.485 OA
BRANCH  21  27
ATOM     22  C   LIG    1        5.748  -0.957  -1.927  0.00  0.00    +0.047 C 
ATOM     23  C   LIG    1        4.905  -0.429  -0.796  0.00  0.00    -0.005 A 
ATOM     24  C   LIG    1        5.509   0.137   0.341  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1        4.705   0.621   1.374  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        3.313   0.545   1.275  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        2.703  -0.013   0.152  0.00  0.00    +0.122 A 
ATOM     28  C   LIG    1        3.502  -0.498  -0.883  0.00  0.00    +0.052 A 
BRANCH  24  29
ATOM     29  O   LIG    1        6.878   0.160   0.332  0.00  0.00    -0.481 OA
BRANCH  29  30
ATOM     30  C   LIG    1        7.538   0.763   1.433  0.00  0.00    +0.349 C 
BRANCH  30  31
ATOM     31  C   LIG    1        9.052   0.725   1.250  0.00  0.00    +0.343 C 
ATOM     32  O   LIG    1        9.646   0.234   0.302  0.00  0.00    -0.247 OA
BRANCH  31  33
ATOM     33  O   LIG    1        9.718   1.309   2.280  0.00  0.00    -0.478 OA
ATOM     34  H   LIG    1        9.147   1.671   2.983  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  21  27
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 9