REMARK  Name = BDB065121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.769   1.341  -0.522  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1       -1.473   1.624  -1.892  0.00  0.00    +0.105 C 
ATOM      3  O   LIG    1       -2.357   2.757  -1.894  0.00  0.00    -0.367 OA
ATOM      4  C   LIG    1       -1.209   2.861  -2.744  0.00  0.00    +0.196 C 
ATOM      5  C   LIG    1       -2.047   0.426  -2.601  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1       -0.948  -0.585  -2.869  0.00  0.00    +0.003 C 
ATOM      7  C   LIG    1       -0.187  -0.966  -1.600  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1        0.353   0.265  -0.818  0.00  0.00    +0.011 C 
ATOM      9  C   LIG    1        1.351  -0.102   0.383  0.00  0.00    -0.025 C 
ATOM     10  C   LIG    1        0.672  -1.003   1.436  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1        1.897   1.222   1.044  0.00  0.00    -0.004 C 
ATOM     12  C   LIG    1        2.565   1.064   2.427  0.00  0.00    +0.008 C 
ATOM     13  C   LIG    1        0.830   2.312   1.243  0.00  0.00    +0.049 C 
ATOM     14  C   LIG    1       -0.028   2.607   0.016  0.00  0.00    +0.189 C 
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -1.879   0.948   0.512  0.00  0.00    +0.246 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -2.392  -0.382   0.347  0.00  0.00    -0.461 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -3.369  -0.705   1.238  0.00  0.00    +0.335 C 
ATOM     18  O   LIG    1       -3.755   0.014   2.149  0.00  0.00    -0.245 OA
BRANCH  17  21
ATOM     19  C   LIG    1       -5.839  -3.669   1.509  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -5.059  -2.396   1.600  0.00  0.00    -0.020 C 
ATOM     21  C   LIG    1       -3.924  -2.065   0.950  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1       -3.177  -2.941  -0.008  0.00  0.00    +0.051 C 
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   9  23
ATOM     23  C   LIG    1        2.525  -0.942  -0.275  0.00  0.00    +0.011 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.809  -1.212   0.520  0.00  0.00    +0.035 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.788  -2.133  -0.148  0.00  0.00    -0.026 C 
ATOM     26  C   LIG    1        6.054  -2.491   0.535  0.00  0.00    +0.264 C 
ATOM     27  O   LIG    1        6.719  -3.364  -0.377  0.00  0.00    -0.457 OA
ATOM     28  C   LIG    1        5.950  -3.518  -1.487  0.00  0.00    +0.332 C 
ATOM     29  O   LIG    1        6.223  -4.197  -2.458  0.00  0.00    -0.246 OA
ATOM     30  C   LIG    1        4.726  -2.733  -1.336  0.00  0.00    +0.094 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   9  23
BRANCH  14  31
ATOM     31  O   LIG    1       -0.989   3.610   0.413  0.00  0.00    -0.461 OA
BRANCH  31  32
ATOM     32  C   LIG    1       -0.652   4.908   0.193  0.00  0.00    +0.304 C 
ATOM     33  O   LIG    1        0.405   5.298  -0.282  0.00  0.00    -0.251 OA
ATOM     34  C   LIG    1       -1.773   5.806   0.619  0.00  0.00    +0.136 C 
ENDBRANCH  31  32
ENDBRANCH  14  31
TORSDOF 9