REMARK  Name = BDB057318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.334  -1.482  -0.500  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.320  -2.245  -1.128  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        3.669  -2.064  -0.817  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        4.053  -1.112   0.135  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        3.062  -0.349   0.763  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.711  -0.532   0.448  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.058  -1.761  -0.901  0.00  0.00    -0.484 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -0.990  -1.006  -0.307  0.00  0.00    +0.308 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.346  -1.431  -0.867  0.00  0.00    +0.200 C 
ATOM     10  O   LIG    1       -2.474  -2.307  -1.721  0.00  0.00    -0.288 OA
BRANCH   9  14
ATOM     11  C   LIG    1       -5.938   0.481   0.570  0.00  0.00    -0.048 A 
ATOM     12  C   LIG    1       -4.691   0.879   1.068  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.514   0.271   0.616  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -3.570  -0.744  -0.346  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1       -4.818  -1.138  -0.849  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -5.991  -0.529  -0.397  0.00  0.00    +0.004 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -7.554   2.363   0.197  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -7.202   1.151   1.046  0.00  0.00    +0.032 C 
ENDBRANCH  11  18
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  19
ATOM     19  C   LIG    1        5.517  -0.902   0.455  0.00  0.00    +0.059 C 
BRANCH  19  20
ATOM     20  C   LIG    1        6.188   0.063  -0.524  0.00  0.00    +0.146 C 
ATOM     21  C   LIG    1        6.125   1.508  -0.057  0.00  0.00    +0.234 C 
ATOM     22  O   LIG    1        5.148   2.066   0.422  0.00  0.00    -0.274 OA
ATOM     23  N   LIG    1        7.317   2.146  -0.230  0.00  0.00    -0.246 N 
ATOM     24  H   LIG    1        7.425   3.098   0.084  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        8.422   1.385  -0.392  0.00  0.00    +0.279 C 
ATOM     26  O   LIG    1        9.572   1.779  -0.308  0.00  0.00    -0.263 OA
ATOM     27  S   LIG    1        7.981  -0.279  -0.665  0.00  0.00    -0.054 S 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 7