REMARK  Name = BDB050282
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.844   1.531   1.302  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1        1.505   1.195   1.053  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.618   0.948   2.110  0.00  0.00    -0.001 A 
ATOM      4  C   LIG    1        1.073   1.034   3.428  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.400   1.384   3.685  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.279   1.634   2.630  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.789   0.565   1.797  0.00  0.00    +0.084 C 
ATOM      8  N   LIG    1       -1.021  -0.113   0.709  0.00  0.00    -0.089 NA
ATOM      9  C   LIG    1       -1.879   0.976   2.766  0.00  0.00    +0.069 C 
BRANCH   8  10
ATOM     10  O   LIG    1       -2.386  -0.412   0.576  0.00  0.00    -0.389 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -2.584  -1.112  -0.652  0.00  0.00    +0.298 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.051  -1.423  -0.798  0.00  0.00    -0.008 A 
ATOM     13  C   LIG    1       -4.583  -2.608  -0.273  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -5.946  -2.888  -0.396  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.789  -1.982  -1.036  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.273  -0.793  -1.550  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.911  -0.512  -1.428  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   3   7
BRANCH   1  18
ATOM     18  C   LIG    1        3.800   1.791   0.155  0.00  0.00    +0.078 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.945   0.572  -0.779  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.408   0.502  -1.251  0.00  0.00    +0.334 C 
ATOM     21  O   LIG    1        5.808   0.800  -2.367  0.00  0.00    -0.248 OA
BRANCH  20  22
ATOM     22  O   LIG    1        6.255   0.046  -0.292  0.00  0.00    -0.479 OA
ATOM     23  H   LIG    1        5.825  -0.195   0.551  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
BRANCH  19  24
ATOM     24  O   LIG    1        2.984   0.717  -1.826  0.00  0.00    -0.365 OA
BRANCH  24  26
ATOM     25  C   LIG    1        1.739  -0.204  -3.637  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1        2.818  -0.466  -2.605  0.00  0.00    +0.157 C 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10