REMARK  Name = BDB060856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.460  -4.364  -1.371  0.00  0.00    -0.009 S 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.074  -1.921   0.010  0.00  0.00    +0.164 A 
ATOM      3  N   LIG    1        2.007  -2.249  -0.787  0.00  0.00    -0.316 N 
ATOM      4  H   LIG    1        1.427  -1.624  -1.331  0.00  0.00    +0.169 HD
ATOM      5  C   LIG    1        1.779  -3.575  -0.597  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1        2.674  -4.072   0.218  0.00  0.00    -0.122 NA
ATOM      7  N   LIG    1        3.493  -3.026   0.601  0.00  0.00    -0.128 NA
BRANCH   2  10
ATOM      8 CL   LIG    1        6.189  -1.481   0.107  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        4.962  -0.269   0.240  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        3.589  -0.560   0.159  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        2.676   0.511   0.233  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        3.119   1.828   0.386  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.480   2.099   0.468  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.399   1.054   0.395  0.00  0.00    +0.021 A 
ENDBRANCH   2  10
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  S   LIG    1       -1.038  -3.890  -0.038  0.00  0.00    -0.009 S 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.360  -2.252  -0.467  0.00  0.00    +0.200 A 
ATOM     17  N   LIG    1       -2.448  -1.608   0.029  0.00  0.00    -0.316 N 
ATOM     18  H   LIG    1       -3.155  -2.000   0.633  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1       -2.382  -0.313  -0.423  0.00  0.00    +0.164 A 
ATOM     20  N   LIG    1       -1.287  -0.206  -1.163  0.00  0.00    -0.128 NA
ATOM     21  N   LIG    1       -0.651  -1.424  -1.195  0.00  0.00    -0.122 NA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.349   0.759  -0.143  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1       -4.447   0.659   0.734  0.00  0.00    +0.052 A 
ATOM     24 CL   LIG    1       -4.822  -0.771   1.636  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -5.310   1.749   0.927  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1       -5.098   2.950   0.255  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.020   3.070  -0.613  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.158   1.988  -0.808  0.00  0.00    +0.013 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5