REMARK  Name = BDB055596
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.218   0.181  -0.762  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1        1.544  -0.962  -0.306  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.190  -1.177  -0.599  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.519  -0.245  -1.353  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        0.142   0.893  -1.818  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.493   1.106  -1.526  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.925   0.547   2.608  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        5.455   0.598   1.184  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1        4.102   0.384   0.876  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.640   0.400  -0.451  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        4.576   0.627  -1.473  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        5.926   0.825  -1.179  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.365   0.805   0.143  0.00  0.00    +0.003 A 
ENDBRANCH   1  10
BRANCH   4  14
ATOM     14  O   LIG    1       -1.834  -0.322  -1.716  0.00  0.00    -0.477 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.639  -1.367  -1.166  0.00  0.00    +0.285 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.477  -2.669  -1.946  0.00  0.00    +0.346 C 
ATOM     17  O   LIG    1       -1.965  -2.829  -3.042  0.00  0.00    -0.247 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -2.977  -3.736  -1.282  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1       -2.799  -4.488  -1.889  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  15  16
BRANCH  15  20
ATOM     20  C   LIG    1       -4.110  -0.935  -1.282  0.00  0.00    +0.091 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.507   0.038  -0.194  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1       -4.213   1.403  -0.317  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.562   2.296   0.697  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.206   1.834   1.843  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.500   0.478   1.977  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.150  -0.417   0.965  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 7