REMARK  Name = BDB048773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.381   2.709  -0.207  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.048   3.175   0.072  0.00  0.00    +0.100 C 
BRANCH   2   7
ATOM      3  C   LIG    1        3.756   0.914  -0.375  0.00  0.00    +0.228 A 
ATOM      4  O   LIG    1        3.441   1.011  -1.706  0.00  0.00    -0.440 OA
ATOM      5  C   LIG    1        2.382   1.873  -1.744  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1        1.822   2.178  -3.071  0.00  0.00    +0.088 C 
ATOM      7  C   LIG    1        2.094   2.250  -0.448  0.00  0.00    +0.086 A 
ATOM      8  N   LIG    1        2.988   1.647   0.410  0.00  0.00    -0.214 NA
BRANCH   3  13
ATOM      9  C   LIG    1        8.153  -2.537   1.123  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        7.032  -1.623   0.725  0.00  0.00    -0.050 A 
ATOM     11  C   LIG    1        6.661  -1.499  -0.618  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        5.595  -0.671  -0.987  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        4.872   0.042  -0.021  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1        5.241  -0.099   1.325  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        6.306  -0.926   1.696  0.00  0.00    +0.004 A 
ENDBRANCH   3  13
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -0.663   1.548   0.575  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.858   0.921   0.349  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -1.975  -0.336   0.948  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -3.151  -1.052   0.785  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -3.452  -2.428   1.284  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1       -4.980  -2.447   1.172  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -5.352  -1.529  -0.018  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1       -4.216  -0.538   0.038  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -4.106   0.702  -0.572  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -2.924   1.436  -0.406  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -6.752  -0.943   0.170  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -7.316  -0.349  -1.098  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1       -6.891  -0.543  -2.225  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -8.402   0.427  -0.866  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1       -8.649   0.491   0.076  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8