REMARK  Name = BDB050892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.625   0.231   1.151  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.459   0.402   2.309  0.00  0.00    -0.388 OA
ATOM      3  H   LIG    1       -1.270  -0.372   2.875  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        0.788  -0.143   1.667  0.00  0.00    +0.167 C 
BRANCH   4   5
ATOM      5  O   LIG    1        0.669  -1.333   2.474  0.00  0.00    -0.388 OA
ATOM      6  H   LIG    1        1.538  -1.477   2.909  0.00  0.00    +0.210 HD
ENDBRANCH   4   5
BRANCH   4   7
ATOM      7  C   LIG    1        1.783  -0.369   0.536  0.00  0.00    +0.218 C 
BRANCH   7   8
ATOM      8  S   LIG    1        3.442  -0.149   1.157  0.00  0.00    +0.032 S 
ATOM      9  O   LIG    1        3.694   1.266   1.292  0.00  0.00    -0.158 OA
ATOM     10  O   LIG    1        3.610  -1.065   2.265  0.00  0.00    -0.158 OA
BRANCH   8  11
ATOM     11  N   LIG    1        4.383  -0.740  -0.088  0.00  0.00    -0.194 NA
ATOM     12  H   LIG    1        4.531  -1.749  -0.070  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        4.377  -0.069  -1.390  0.00  0.00    +0.105 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.687  -0.351  -2.126  0.00  0.00    +0.017 C 
BRANCH  14  16
ATOM     15  C   LIG    1        6.958   1.696  -1.276  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        6.943   0.183  -1.430  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   7   8
ENDBRANCH   4   7
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -1.271  -0.818   0.196  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.626  -2.071   0.877  0.00  0.00    -0.325 NA
ATOM     19  H   LIG    1       -2.374  -1.883   1.544  0.00  0.00    +0.119 HD
ATOM     20  H   LIG    1       -0.834  -2.348   1.470  0.00  0.00    +0.119 HD
ENDBRANCH  17  18
BRANCH  17  21
ATOM     21  C   LIG    1       -2.455  -0.254  -0.631  0.00  0.00    +0.024 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.637   0.442   0.085  0.00  0.00    -0.009 C 
ATOM     23  C   LIG    1       -4.455  -0.518   0.971  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -5.903  -0.067   1.132  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -6.635  -0.035  -0.209  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -5.720   0.302  -1.386  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -4.537   1.159  -0.952  0.00  0.00    +0.003 C 
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 13