REMARK  Name = BDB065142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.638   0.764  -0.287  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -0.723   0.933  -1.813  0.00  0.00    +0.179 C 
ATOM      3  C   LIG    1        0.012  -0.152  -2.593  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1        1.479  -0.357  -2.162  0.00  0.00    -0.003 C 
ATOM      5  C   LIG    1        1.649  -0.631  -0.611  0.00  0.00    -0.025 C 
ATOM      6  C   LIG    1        1.178  -2.060  -0.272  0.00  0.00    +0.012 C 
ATOM      7  C   LIG    1        2.079  -1.443  -3.075  0.00  0.00    +0.008 C 
ATOM      8  O   LIG    1       -0.157   2.209  -2.100  0.00  0.00    -0.345 OA
ATOM      9  C   LIG    1       -0.467   3.085  -1.000  0.00  0.00    +0.198 C 
ATOM     10  C   LIG    1       -0.997   2.214   0.163  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -0.386   2.654   1.508  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -0.014   1.471   2.392  0.00  0.00    +0.003 C 
ATOM     13  C   LIG    1        0.959   0.505   1.699  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1        0.851   0.507   0.154  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   2  15
ATOM     15  O   LIG    1       -2.072   0.995  -2.258  0.00  0.00    -0.364 OA
ATOM     16  H   LIG    1       -2.023   1.078  -3.226  0.00  0.00    +0.213 HD
ENDBRANCH   2  15
BRANCH  10  17
ATOM     17  O   LIG    1       -2.407   2.434   0.252  0.00  0.00    -0.385 OA
ATOM     18  H   LIG    1       -2.813   1.942  -0.493  0.00  0.00    +0.210 HD
ENDBRANCH  10  17
BRANCH   1  19
ATOM     19  C   LIG    1       -1.594  -0.361   0.211  0.00  0.00    +0.247 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.988  -0.046   0.083  0.00  0.00    -0.461 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.828  -1.044   0.462  0.00  0.00    +0.335 C 
ATOM     22  O   LIG    1       -3.475  -2.140   0.874  0.00  0.00    -0.245 OA
BRANCH  21  25
ATOM     23  C   LIG    1       -7.667  -1.458   0.253  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1       -6.184  -1.590   0.388  0.00  0.00    -0.020 C 
ATOM     25  C   LIG    1       -5.253  -0.619   0.291  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1       -5.521   0.837   0.055  0.00  0.00    +0.051 C 
ENDBRANCH  21  25
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
BRANCH   5  27
ATOM     27  C   LIG    1        3.186  -0.488  -0.257  0.00  0.00    +0.011 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.707  -1.263   0.967  0.00  0.00    +0.035 C 
BRANCH  28  29
ATOM     29  C   LIG    1        5.115  -0.893   1.309  0.00  0.00    -0.026 C 
ATOM     30  C   LIG    1        5.467   0.407   1.921  0.00  0.00    +0.264 C 
ATOM     31  O   LIG    1        6.880   0.336   2.110  0.00  0.00    -0.457 OA
ATOM     32  C   LIG    1        7.332  -0.866   1.661  0.00  0.00    +0.332 C 
ATOM     33  O   LIG    1        8.488  -1.244   1.672  0.00  0.00    -0.246 OA
ATOM     34  C   LIG    1        6.202  -1.647   1.161  0.00  0.00    +0.094 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 9