REMARK  Name = BDB060049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.014  -0.110  -0.788  0.00  0.00    -0.059 C 
ATOM      2  C   LIG    1        0.108   0.019  -1.199  0.00  0.00    -0.061 C 
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.644  -0.396   1.084  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -2.350  -0.263  -0.289  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -3.386  -0.272  -1.237  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -4.725  -0.414  -0.845  0.00  0.00    +0.101 A 
ATOM      7  C   LIG    1       -5.020  -0.549   0.513  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -3.993  -0.539   1.461  0.00  0.00    +0.070 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -1.032   0.879   2.337  0.00  0.00    +0.129 C 
ATOM     10  N   LIG    1       -1.712  -0.403   2.143  0.00  0.00    -0.335 N 
ATOM     11  C   LIG    1       -0.823  -1.567   2.138  0.00  0.00    +0.129 C 
ENDBRANCH   3  10
BRANCH   6  12
ATOM     12  C   LIG    1       -5.801  -0.393  -1.869  0.00  0.00    +0.340 C 
ATOM     13  O   LIG    1       -6.962  -0.061  -1.736  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -5.347  -0.810  -3.069  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -6.150  -0.770  -3.631  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   7  16
ATOM     16  O   LIG    1       -6.309  -0.718   0.934  0.00  0.00    -0.506 OA
ATOM     17  H   LIG    1       -6.337  -0.725   1.905  0.00  0.00    +0.292 HD
ENDBRANCH   7  16
ENDBRANCH   1   4
BRANCH   2  18
ATOM     18  C   LIG    1        1.459   0.170  -1.642  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        2.493   0.226  -0.700  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        3.818   0.373  -1.114  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        4.095   0.464  -2.484  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1        3.064   0.408  -3.425  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        1.744   0.261  -3.004  0.00  0.00    +0.017 A 
BRANCH  20  24
ATOM     24  N   LIG    1        4.910   0.438  -0.230  0.00  0.00    -0.276 N 
ATOM     25  H   LIG    1        5.836   0.547  -0.638  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1        4.888   0.371   1.152  0.00  0.00    +0.325 C 
ATOM     27  O   LIG    1        3.925   0.242   1.890  0.00  0.00    -0.263 OA
BRANCH  26  28
ATOM     28  C   LIG    1        6.322   0.483   1.737  0.00  0.00    +0.393 C 
ATOM     29  O   LIG    1        7.308   0.612   1.031  0.00  0.00    -0.240 OA
BRANCH  28  30
ATOM     30  O   LIG    1        6.385   0.427   3.068  0.00  0.00    -0.474 OA
ATOM     31  H   LIG    1        7.333   0.508   3.292  0.00  0.00    +0.296 HD
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH  20  24
ENDBRANCH   2  18
TORSDOF 9