REMARK  Name = BDB054965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.695  -1.182   0.793  0.00  0.00    +0.019 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.145  -1.714   0.605  0.00  0.00    +0.043 C 
ATOM      3  C   LIG    1       -2.058  -3.215   0.266  0.00  0.00    +0.020 C 
ATOM      4  C   LIG    1       -2.959  -1.531   1.896  0.00  0.00    +0.020 C 
BRANCH   2   5
ATOM      5  C   LIG    1       -2.830  -1.015  -0.587  0.00  0.00    +0.237 C 
ATOM      6  N   LIG    1       -4.201  -1.282  -0.744  0.00  0.00    -0.190 N 
ATOM      7  H   LIG    1       -4.707  -1.885  -0.105  0.00  0.00    +0.176 HD
ATOM      8  O   LIG    1       -2.240  -0.271  -1.356  0.00  0.00    -0.274 OA
BRANCH   6   9
ATOM      9  S   LIG    1       -5.083  -0.923  -2.101  0.00  0.00    +0.042 S 
ATOM     10  O   LIG    1       -4.399  -1.449  -3.259  0.00  0.00    -0.155 OA
ATOM     11  O   LIG    1       -6.430  -1.351  -1.782  0.00  0.00    -0.155 OA
ATOM     12  C   LIG    1       -5.076   0.859  -2.143  0.00  0.00    +0.218 C 
ENDBRANCH   6   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  13
ATOM     13  C   LIG    1       -0.586   0.260   1.318  0.00  0.00    +0.042 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.869   0.724   1.422  0.00  0.00    +0.229 C 
BRANCH  14  15
ATOM     15  O   LIG    1        1.437   0.741   0.116  0.00  0.00    -0.492 OA
BRANCH  15  19
ATOM     16  C   LIG    1        5.801   2.248   1.970  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        4.918   1.849   0.824  0.00  0.00    -0.047 A 
ATOM     18  C   LIG    1        3.578   1.498   1.051  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        2.754   1.095  -0.006  0.00  0.00    +0.124 A 
ATOM     20  C   LIG    1        3.277   1.036  -1.310  0.00  0.00    -0.009 A 
ATOM     21  C   LIG    1        2.412   0.609  -2.465  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1        4.619   1.372  -1.531  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        5.434   1.770  -0.471  0.00  0.00    +0.004 A 
ENDBRANCH  15  19
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 7