REMARK  Name = BDB059631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.822  -0.472   0.066  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1        1.360   0.557   0.909  0.00  0.00    +0.104 A 
ATOM      3  C   LIG    1       -0.011   0.920   0.889  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1       -0.959   0.216   0.121  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -2.443   0.544   0.123  0.00  0.00    +0.056 C 
ATOM      6  C   LIG    1       -3.233  -0.539  -0.654  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -2.530  -0.871  -1.982  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -1.219  -1.404  -1.700  0.00  0.00    -0.486 OA
ATOM      9  C   LIG    1       -3.255  -2.014  -2.715  0.00  0.00    +0.055 C 
ATOM     10  C   LIG    1       -2.400   0.308  -2.959  0.00  0.00    +0.055 C 
ATOM     11  C   LIG    1       -4.701  -0.102  -0.759  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1       -5.340  -0.026   0.634  0.00  0.00    +0.030 C 
ATOM     13  C   LIG    1       -4.408   0.469   1.713  0.00  0.00    -0.076 C 
ATOM     14  C   LIG    1       -5.023   0.659   3.070  0.00  0.00    +0.039 C 
ATOM     15  C   LIG    1       -3.104   0.717   1.480  0.00  0.00    -0.019 C 
ATOM     16  C   LIG    1       -0.468  -0.751  -0.761  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1        0.886  -1.103  -0.770  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        2.243   1.325   1.820  0.00  0.00    +0.341 C 
ATOM     19  O   LIG    1        2.056   2.492   2.126  0.00  0.00    -0.245 OA
BRANCH  18  20
ATOM     20  O   LIG    1        3.221   0.606   2.388  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        3.665   1.226   3.002  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH   2  18
BRANCH   3  22
ATOM     22  O   LIG    1       -0.463   2.017   1.590  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        0.301   2.546   1.905  0.00  0.00    +0.292 HD
ENDBRANCH   3  22
BRANCH   1  24
ATOM     24  C   LIG    1        3.271  -0.892  -0.074  0.00  0.00    +0.036 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.100   0.139  -0.847  0.00  0.00    +0.005 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.514  -0.349  -1.179  0.00  0.00    +0.000 C 
BRANCH  26  28
ATOM     27  C   LIG    1        6.704   0.595   0.869  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1        6.413  -0.635   0.025  0.00  0.00    -0.003 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7