REMARK  Name = BDB052359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.817   0.247   0.421  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1       -0.999  -0.709  -0.802  0.00  0.00    +0.048 C 
ATOM      3  C   LIG    1       -2.214   0.189  -1.204  0.00  0.00    +0.114 C 
ATOM      4  C   LIG    1       -1.496   1.354  -0.447  0.00  0.00    +0.048 C 
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.226  -2.264  -0.582  0.00  0.00    -0.043 A 
ATOM      6  C   LIG    1       -1.756  -3.071  -1.611  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -1.960  -4.444  -1.450  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.632  -5.058  -0.247  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -1.100  -4.298   0.788  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -0.899  -2.925   0.619  0.00  0.00    +0.004 A 
ENDBRANCH   2   5
BRANCH   4  11
ATOM     11  C   LIG    1       -2.375   2.487   0.234  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1       -3.275   3.260  -0.529  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -4.058   4.269   0.039  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -3.959   4.542   1.398  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -3.077   3.806   2.183  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.298   2.799   1.606  0.00  0.00    +0.004 A 
ENDBRANCH   4  11
BRANCH   1  17
ATOM     17  C   LIG    1        0.617   0.506   0.929  0.00  0.00    +0.311 C 
ATOM     18  O   LIG    1        0.965   0.425   2.106  0.00  0.00    -0.250 OA
BRANCH  17  19
ATOM     19  O   LIG    1        1.475   0.832  -0.085  0.00  0.00    -0.464 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.842   1.071   0.290  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.612  -0.248   0.298  0.00  0.00    +0.044 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.717  -1.492   0.870  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        5.072  -0.108   0.760  0.00  0.00    -0.014 C 
ATOM     24  C   LIG    1        5.898   0.774  -0.176  0.00  0.00    +0.007 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   3  25
ATOM     25  C   LIG    1       -3.627  -0.238  -0.701  0.00  0.00    +0.309 C 
ATOM     26  O   LIG    1       -3.990  -0.522   0.432  0.00  0.00    -0.251 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -4.547  -0.288  -1.697  0.00  0.00    -0.480 OA
ATOM     28  H   LIG    1       -5.362  -0.565  -1.226  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 9