REMARK  Name = BDB001869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.101  -0.898   0.318  0.00  0.00    +0.074 A 
ATOM      2  C   LIG    1       -1.261  -0.736  -0.483  0.00  0.00    +0.082 A 
ATOM      3  C   LIG    1       -1.603  -1.075  -1.846  0.00  0.00    +0.237 C 
ATOM      4  C   LIG    1       -3.056  -0.787  -2.297  0.00  0.00    +0.234 C 
ATOM      5  C   LIG    1       -3.970  -0.065  -1.354  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -3.530   0.287  -0.062  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1       -4.393   0.962   0.805  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -5.686   1.284   0.388  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -6.123   0.933  -0.891  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.268   0.258  -1.764  0.00  0.00    +0.012 A 
ATOM     11  O   LIG    1       -3.447  -1.132  -3.404  0.00  0.00    -0.283 OA
ATOM     12  O   LIG    1       -0.787  -1.516  -2.642  0.00  0.00    -0.283 OA
ATOM     13  C   LIG    1       -2.183  -0.088   0.298  0.00  0.00    +0.147 A 
ATOM     14  O   LIG    1       -1.684   0.188   1.523  0.00  0.00    -0.458 OA
ATOM     15  C   LIG    1       -0.414  -0.320   1.543  0.00  0.00    +0.114 A 
ATOM     16  C   LIG    1        0.317  -0.176   2.822  0.00  0.00    +0.087 C 
ENDROOT
BRANCH   1  17
ATOM     17  C   LIG    1        1.131  -1.587  -0.018  0.00  0.00    +0.197 C 
ATOM     18  O   LIG    1        1.124  -2.776  -0.318  0.00  0.00    -0.287 OA
BRANCH  17  23
ATOM     19  C   LIG    1        6.230   1.178   0.223  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        4.904   0.477   0.188  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1        4.841  -0.921   0.226  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        3.609  -1.575   0.158  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        2.422  -0.841   0.048  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        2.484   0.557  -0.019  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        3.719   1.209   0.050  0.00  0.00    +0.004 A 
ENDBRANCH  17  23
ENDBRANCH   1  17
TORSDOF 2