REMARK  Name = BDB059447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.605   1.491   0.854  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        4.835   0.110   0.993  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        3.781  -0.789   0.798  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        2.492  -0.333   0.471  0.00  0.00    -0.057 A 
ATOM      5  C   LIG    1        1.397  -1.342   0.228  0.00  0.00    -0.038 C 
ATOM      6  N   LIG    1       -0.050  -0.800   0.349  0.00  0.00    +0.390 N 
ATOM      7  C   LIG    1       -0.094   0.496  -0.507  0.00  0.00    -0.029 C 
ATOM      8  C   LIG    1        0.899   1.574  -0.013  0.00  0.00    +0.025 C 
ATOM      9  C   LIG    1       -1.479   1.063  -0.767  0.00  0.00    -0.053 A 
ATOM     10  C   LIG    1       -2.386   1.436   0.243  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1       -3.661   1.935  -0.117  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1       -4.052   2.062  -1.452  0.00  0.00    +0.162 A 
ATOM     13  C   LIG    1       -3.131   1.725  -2.445  0.00  0.00    +0.162 A 
ATOM     14  C   LIG    1       -2.068   1.329   1.714  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -1.755  -0.091   2.161  0.00  0.00    -0.013 C 
ATOM     16  C   LIG    1       -1.875   1.217  -2.111  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1       -0.347  -0.573   1.832  0.00  0.00    -0.073 C 
ATOM     18  C   LIG    1        2.270   1.041   0.314  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1        3.326   1.945   0.519  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1        5.534   3.698   0.840  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.686   2.305   1.070  0.00  0.00    -0.491 OA
ENDBRANCH   1  21
BRANCH   2  22
ATOM     22  O   LIG    1        6.115  -0.256   1.322  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1        6.434  -1.638   1.363  0.00  0.00    +0.277 C 
ENDBRANCH   2  22
BRANCH  13  24
ATOM     24  O   LIG    1       -3.432   1.769  -3.781  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -3.451   3.114  -4.264  0.00  0.00    +0.277 C 
ENDBRANCH  13  24
BRANCH  12  26
ATOM     26  O   LIG    1       -5.279   2.495  -1.872  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.314   2.586  -0.904  0.00  0.00    +0.277 C 
ENDBRANCH  12  26
BRANCH   6  28
ATOM     28  C   LIG    1       -1.005  -1.857  -0.294  0.00  0.00    -0.038 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.882  -3.282   0.197  0.00  0.00    -0.063 A 
ATOM     30  C   LIG    1       -0.070  -4.202  -0.490  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        0.062  -5.515  -0.036  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.624  -5.932   1.102  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.449  -5.040   1.781  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.582  -3.726   1.330  0.00  0.00    +0.002 A 
ENDBRANCH  28  29
ENDBRANCH   6  28
TORSDOF 6