REMARK  Name = BDB047338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.159   1.255  -1.586  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.482   2.515  -2.134  0.00  0.00    +0.346 C 
ATOM      3  O   LIG    1       -0.796   3.662  -1.853  0.00  0.00    -0.247 OA
BRANCH   2   4
ATOM      4  O   LIG    1        0.510   2.234  -3.017  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1        0.659   1.265  -3.080  0.00  0.00    +0.295 HD
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1   6
ATOM      6  O   LIG    1       -0.308   0.103  -1.601  0.00  0.00    -0.477 OA
BRANCH   6  10
ATOM      7  C   LIG    1        2.914  -0.595   0.964  0.00  0.00    -0.047 A 
ATOM      8  C   LIG    1        2.303  -1.615   0.229  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        1.226  -1.329  -0.612  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        0.738  -0.025  -0.731  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1        1.355   0.998  -0.016  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        2.436   0.713   0.827  0.00  0.00    +0.007 A 
BRANCH   7  14
ATOM     13  C   LIG    1        5.411  -0.773   1.118  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1        4.088  -0.892   1.860  0.00  0.00    +0.032 C 
ENDBRANCH   7  14
ENDBRANCH   6  10
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1       -1.898   1.497  -0.258  0.00  0.00    +0.091 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.916   0.417   0.038  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1       -2.566  -0.701   0.806  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -3.502  -1.704   1.062  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.795  -1.599   0.552  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.153  -0.491  -0.213  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.219   0.513  -0.471  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7