REMARK  Name = BDB050895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.379   0.379  -0.443  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.937   1.190   0.618  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1       -1.125   0.576   1.353  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        1.039  -0.023   0.042  0.00  0.00    +0.167 C 
BRANCH   4   5
ATOM      5  O   LIG    1        1.713   1.222   0.336  0.00  0.00    -0.388 OA
ATOM      6  H   LIG    1        1.038   1.796   0.754  0.00  0.00    +0.210 HD
ENDBRANCH   4   5
BRANCH   4   7
ATOM      7  C   LIG    1        1.858  -0.789  -0.981  0.00  0.00    +0.218 C 
BRANCH   7   8
ATOM      8  S   LIG    1        3.224  -1.701  -0.255  0.00  0.00    +0.032 S 
ATOM      9  O   LIG    1        3.661  -2.679  -1.232  0.00  0.00    -0.158 OA
ATOM     10  O   LIG    1        2.946  -2.084   1.111  0.00  0.00    -0.158 OA
BRANCH   8  11
ATOM     11  N   LIG    1        4.466  -0.570  -0.241  0.00  0.00    -0.194 NA
ATOM     12  H   LIG    1        5.290  -0.942  -0.715  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        4.715   0.174   1.001  0.00  0.00    +0.105 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.407   1.500   0.685  0.00  0.00    +0.017 C 
BRANCH  14  16
ATOM     15  C   LIG    1        7.807   0.649   0.904  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        6.792   1.381   0.040  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       -1.360  -0.767  -0.799  0.00  0.00    +0.104 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.755  -1.542   0.378  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.614  -1.313   0.859  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -1.048  -2.652   0.780  0.00  0.00    +0.210 C 
ATOM     21  O   LIG    1       -0.037  -3.037   0.204  0.00  0.00    -0.276 OA
ATOM     22  C   LIG    1       -1.613  -3.360   1.981  0.00  0.00    +0.109 C 
ENDBRANCH  17  18
BRANCH  17  23
ATOM     23  C   LIG    1       -2.591  -0.308  -1.623  0.00  0.00    +0.028 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.452   0.877  -1.124  0.00  0.00    -0.009 C 
ATOM     25  C   LIG    1       -4.202   0.560   0.184  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1       -5.439   1.434   0.360  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -6.461   1.188  -0.749  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -5.825   0.754  -2.069  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -4.427   1.337  -2.237  0.00  0.00    +0.003 C 
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 13