REMARK  Name = BDB058084
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.745   0.126   1.476  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -2.725  -0.812   0.898  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -2.788  -1.273  -0.428  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.896  -2.257  -0.884  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -1.998  -2.868  -2.251  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -0.843  -2.660  -0.049  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -0.698  -2.131   1.239  0.00  0.00    -0.039 A 
ATOM      8  C   LIG    1       -1.655  -1.222   1.708  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1       -3.779  -0.833  -1.264  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -3.512   0.407  -1.943  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -3.413   0.098  -3.448  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -4.781   1.263  -1.758  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -2.293   1.284  -1.541  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -2.320   2.312  -0.878  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -1.104   0.822  -1.988  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -0.457   1.448  -1.597  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   7  17
ATOM     17  C   LIG    1        0.481  -2.514   2.105  0.00  0.00    +0.112 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.470  -1.411   2.241  0.00  0.00    +0.145 A 
ATOM     19  C   LIG    1        2.209  -0.652   1.356  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        2.219  -0.762  -0.126  0.00  0.00    +0.082 C 
ATOM     21  C   LIG    1        3.431  -0.096  -0.753  0.00  0.00    +0.234 C 
ATOM     22  O   LIG    1        3.323   1.323  -0.616  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1        3.990   1.812   0.479  0.00  0.00    +0.131 A 
ATOM     24  C   LIG    1        3.848   1.346   1.800  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        4.606   1.983   2.804  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        5.457   3.054   2.510  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        5.554   3.514   1.203  0.00  0.00    +0.021 A 
ATOM     28 BR   LIG    1        6.687   4.971   0.800  0.00  0.00    -0.050 Br
ATOM     29  C   LIG    1        4.821   2.904   0.191  0.00  0.00    +0.061 A 
ATOM     30  C   LIG    1        2.926   0.266   2.185  0.00  0.00    +0.120 A 
ATOM     31  N   LIG    1        2.650   0.020   3.478  0.00  0.00    -0.078 NA
ATOM     32  O   LIG    1        1.744  -1.012   3.507  0.00  0.00    -0.358 OA
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 6