REMARK  Name = BDB063938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.710  -3.979  -1.524  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.464  -2.822  -1.248  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.350  -1.797  -0.632  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.616  -2.070  -0.289  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.662  -0.608  -0.521  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.483  -0.864  -1.004  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.309  -2.135  -1.430  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.502  -2.530  -1.867  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.585  -1.137   0.308  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.204  -0.157   1.238  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.192   0.676   1.793  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.541   0.548   1.457  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.399   1.438   2.085  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.708   2.222   2.879  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.915  -0.450   0.537  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.018   1.957   2.935  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.936  -1.283  -0.022  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.498   0.070  -1.077  0.00  0.00    -0.313 N 
ATOM     19  H   LIG    1       -0.217   0.930  -0.615  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.926  -0.197  -1.105  0.00  0.00    +0.079 C 
ATOM     21  C   LIG    1       -2.715   1.062  -1.543  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -4.196   0.663  -1.699  0.00  0.00    +0.040 C 
ATOM     23  C   LIG    1       -4.749   0.150  -0.354  0.00  0.00    +0.067 C 
ATOM     24  C   LIG    1       -3.926  -1.066   0.111  0.00  0.00    +0.040 C 
ATOM     25  C   LIG    1       -4.636   1.264   0.701  0.00  0.00    +0.038 C 
ATOM     26  C   LIG    1       -3.164   1.675   0.869  0.00  0.00    -0.008 C 
ATOM     27  C   LIG    1       -2.345   0.453   1.318  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1       -2.627   2.178  -0.482  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -2.445  -0.675   0.271  0.00  0.00    +0.012 C 
BRANCH  23  30
ATOM     30  O   LIG    1       -6.102  -0.245  -0.509  0.00  0.00    -0.389 OA
ATOM     31  H   LIG    1       -6.623   0.540  -0.754  0.00  0.00    +0.210 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4