REMARK  Name = BDB058875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.495  -0.095   2.610  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.024  -0.823   1.739  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.801  -1.698   1.001  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.446  -2.139   0.157  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.426  -0.801   1.430  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -1.898  -0.920   0.116  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -3.276  -0.891  -0.151  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1       -4.166  -0.722   0.921  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -3.695  -0.582   2.229  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.325  -0.615   2.484  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.752  -1.007  -1.536  0.00  0.00    +0.019 A 
ATOM     12  S   LIG    1       -5.071  -2.039  -1.922  0.00  0.00    -0.097 S 
ATOM     13  C   LIG    1       -4.978  -1.659  -3.585  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -3.962  -0.771  -3.855  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -3.254  -0.399  -2.675  0.00  0.00    +0.016 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1        2.301  -1.389   0.991  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        2.585  -0.939   1.873  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.814  -0.461  -0.364  0.00  0.00    +0.074 S 
ATOM     19  O   LIG    1        1.628   0.020  -1.048  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        3.817  -1.234  -1.064  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.606   0.916   0.422  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1        2.821   1.931   0.977  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        3.441   3.017   1.593  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        4.834   3.091   1.643  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.613   2.080   1.077  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.001   0.988   0.462  0.00  0.00    +0.028 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5