REMARK  Name = BDB049429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.317  -0.417  -0.441  0.00  0.00    +0.001 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.383   0.582   0.246  0.00  0.00    +0.000 C 
BRANCH   2   3
ATOM      3  C   LIG    1        0.635   1.218  -0.708  0.00  0.00    +0.000 C 
BRANCH   3   4
ATOM      4  C   LIG    1        1.607   0.250  -1.391  0.00  0.00    -0.000 C 
BRANCH   4   5
ATOM      5  C   LIG    1        2.422  -0.647  -0.455  0.00  0.00    -0.000 C 
BRANCH   5   7
ATOM      6  C   LIG    1        4.176  -0.799   1.347  0.00  0.00    +0.004 C 
ATOM      7  C   LIG    1        3.312   0.134   0.512  0.00  0.00    -0.003 C 
ENDBRANCH   5   7
ENDBRANCH   4   5
ENDBRANCH   3   4
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1       -2.322  -1.071   0.516  0.00  0.00    +0.011 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.343  -0.118   1.137  0.00  0.00    +0.120 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.296   0.461   0.127  0.00  0.00    +0.305 C 
ATOM     11  O   LIG    1       -4.556   0.028  -0.982  0.00  0.00    -0.251 OA
BRANCH  10  12
ATOM     12  O   LIG    1       -4.918   1.562   0.594  0.00  0.00    -0.481 OA
ATOM     13  H   LIG    1       -5.514   1.825  -0.138  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   1   8
TORSDOF 9