REMARK  Name = BDB048769
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.512  -1.111  -2.747  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.475  -0.468  -2.017  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        1.276   0.229  -0.824  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        2.374   0.813  -0.205  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1        2.380   1.627   1.051  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1        3.868   1.585   1.420  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        4.646   1.490   0.088  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1        3.659   0.725  -0.755  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1        3.865   0.046  -1.943  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        2.767  -0.557  -2.564  0.00  0.00    +0.046 A 
BRANCH   7  11
ATOM     11  C   LIG    1        6.007   0.823   0.242  0.00  0.00    +0.128 C 
BRANCH  11  12
ATOM     12  C   LIG    1        6.938   1.701   1.036  0.00  0.00    +0.305 C 
ATOM     13  O   LIG    1        7.112   1.598   2.240  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1        7.551   2.647   0.291  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1        7.324   2.624  -0.657  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -0.849  -0.995  -2.325  0.00  0.00    +0.235 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.199  -2.073  -1.302  0.00  0.00    +0.097 C 
BRANCH  17  20
ATOM     18  C   LIG    1       -3.763  -3.853  -2.171  0.00  0.00    +0.053 C 
ATOM     19  C   LIG    1       -3.695  -2.718  -1.212  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -2.610  -1.952  -0.830  0.00  0.00    +0.055 A 
ATOM     21  N   LIG    1       -2.897  -0.960   0.094  0.00  0.00    -0.244 NA
ATOM     22  C   LIG    1       -4.176  -0.970   0.423  0.00  0.00    +0.109 A 
ATOM     23  S   LIG    1       -5.093  -2.189  -0.378  0.00  0.00    -0.072 S 
BRANCH  22  24
ATOM     24  C   LIG    1       -4.781  -0.034   1.396  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -3.939   0.845   2.101  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -4.452   1.753   3.033  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.821   1.800   3.276  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.675   0.942   2.589  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.160   0.033   1.657  0.00  0.00    +0.010 A 
ENDBRANCH  22  24
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8