REMARK  Name = BDB047142
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.234   1.328  -0.178  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1       -0.356   0.064   0.004  0.00  0.00    +0.128 A 
ATOM      3  C   LIG    1        0.455  -1.071   0.213  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1        1.848  -0.913   0.343  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.440   0.347   0.235  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        1.629   1.454  -0.037  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.915   0.557   0.369  0.00  0.00    +0.163 C 
ATOM      8  O   LIG    1        4.361   1.703   0.353  0.00  0.00    -0.292 OA
BRANCH   7   9
ATOM      9  C   LIG    1        4.812  -0.659   0.527  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1        6.285  -0.286   0.574  0.00  0.00    +0.012 C 
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  C   LIG    1       -0.537   2.558  -0.602  0.00  0.00    +0.038 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -1.604   3.796  -2.521  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -0.873   2.533  -2.094  0.00  0.00    +0.001 C 
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  O   LIG    1       -1.705  -0.122  -0.139  0.00  0.00    -0.475 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.585   0.190   0.971  0.00  0.00    +0.200 C 
ATOM     16  C   LIG    1       -3.437  -1.070   1.210  0.00  0.00    +0.067 C 
ATOM     17  C   LIG    1       -1.882   0.582   2.284  0.00  0.00    +0.067 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.588   1.277   0.505  0.00  0.00    +0.348 C 
ATOM     19  O   LIG    1       -3.722   1.652  -0.653  0.00  0.00    -0.247 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -4.387   1.787   1.477  0.00  0.00    -0.478 OA
ATOM     21  H   LIG    1       -4.282   1.409   2.368  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  15  18
ENDBRANCH  14  15
ENDBRANCH   2  14
BRANCH   3  22
ATOM     22  C   LIG    1       -0.109  -2.474   0.254  0.00  0.00    +0.038 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -0.507  -2.983  -1.133  0.00  0.00    +0.001 C 
ATOM     24  C   LIG    1       -1.060  -4.398  -1.065  0.00  0.00    +0.004 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 10