REMARK  Name = BDB058906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.684   0.875   1.143  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -0.293   0.059   0.312  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1       -1.095  -0.975  -0.137  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.869  -1.507  -0.976  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.083   0.134  -0.244  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.090   0.678   0.567  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        3.413   0.785   0.110  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        3.700   0.334  -1.190  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1        2.698  -0.192  -2.010  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.388  -0.288  -1.543  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        4.466   1.359   0.963  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1        4.307   2.627   1.549  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        5.306   3.179   2.356  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        6.480   2.467   2.587  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        7.712   3.145   3.577  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        6.661   1.210   2.019  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        5.660   0.661   1.211  0.00  0.00    +0.010 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1       -2.600  -0.817   0.133  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1       -2.756  -0.016   0.768  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -3.515  -0.558  -1.293  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1       -3.914   0.831  -1.292  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1       -2.767  -1.141  -2.392  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.935  -1.570  -0.988  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1       -4.803  -2.961  -1.034  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -5.922  -3.763  -0.809  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -7.161  -3.176  -0.548  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.289  -1.786  -0.512  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.175  -0.977  -0.734  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5