REMARK  Name = BDB048624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.288  -2.096   0.132  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        1.215  -1.066  -0.095  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        2.484  -1.341  -0.625  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1        2.822  -2.668  -0.922  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        1.903  -3.696  -0.714  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.640  -3.412  -0.197  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.078  -1.781   0.688  0.00  0.00    +0.264 C 
BRANCH   7   8
ATOM      8  O   LIG    1       -1.917  -1.391  -0.397  0.00  0.00    -0.487 OA
BRANCH   8  13
ATOM      9  C   LIG    1       -7.261   0.078   0.639  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -5.915  -0.276   0.233  0.00  0.00    -0.007 A 
ATOM     11  C   LIG    1       -5.125  -0.645   1.325  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -3.774  -1.031   1.178  0.00  0.00    +0.061 A 
ATOM     13  C   LIG    1       -3.207  -1.044  -0.097  0.00  0.00    +0.122 A 
ATOM     14  C   LIG    1       -3.974  -0.681  -1.197  0.00  0.00    +0.046 A 
ATOM     15  S   LIG    1       -6.010  -0.559   2.798  0.00  0.00    -0.096 S 
ATOM     16  C   LIG    1       -5.312  -0.299  -1.049  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -7.422  -0.037   2.006  0.00  0.00    +0.050 A 
BRANCH   9  18
ATOM     18  C   LIG    1       -8.354   0.512  -0.300  0.00  0.00    +0.156 C 
BRANCH  18  20
ATOM     19  O   LIG    1       -7.578   2.844  -0.153  0.00  0.00    -0.251 OA
ATOM     20  C   LIG    1       -8.273   1.978  -0.655  0.00  0.00    +0.309 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -9.131   2.299  -1.649  0.00  0.00    -0.480 OA
ATOM     22  H   LIG    1       -8.992   3.262  -1.773  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   9  18
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  C   LIG    1        3.480  -0.232  -0.862  0.00  0.00    +0.264 C 
BRANCH  23  24
ATOM     24  O   LIG    1        4.508  -0.337   0.121  0.00  0.00    -0.487 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.525   0.574   0.061  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        6.511   0.407   1.037  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        7.612   1.266   1.095  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        7.740   2.316   0.176  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        6.750   2.475  -0.806  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1        5.649   1.611  -0.862  0.00  0.00    +0.046 A 
BRANCH  28  31
ATOM     31  C   LIG    1        8.933   3.239   0.213  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        8.606   4.535  -0.049  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        9.878   2.900  -0.707  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        9.570   3.253   1.417  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 10