REMARK  Name = BDB059061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.636  -1.890  -1.892  0.00  0.00    +0.044 A 
ATOM      2  N   LIG    1        0.228  -1.646  -0.887  0.00  0.00    -0.232 NA
ATOM      3  C   LIG    1        0.124  -0.428  -0.306  0.00  0.00    +0.165 A 
ATOM      4  C   LIG    1       -0.780   0.573  -0.659  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1       -0.547   1.611   0.285  0.00  0.00    +0.076 A 
ATOM      6  N   LIG    1        0.468   1.318   1.105  0.00  0.00    -0.169 NA
ATOM      7  C   LIG    1       -1.637   0.288  -1.739  0.00  0.00    +0.073 A 
ATOM      8  N   LIG    1        0.883   0.072   0.749  0.00  0.00    -0.214 N 
ATOM      9  C   LIG    1       -1.573  -0.973  -2.342  0.00  0.00    +0.039 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        1.968  -0.533   1.461  0.00  0.00    +0.068 A 
ATOM     11  C   LIG    1        2.573   0.176   2.515  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        3.635  -0.381   3.235  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        4.103  -1.650   2.906  0.00  0.00    +0.014 A 
ATOM     14  I   LIG    1        5.681  -2.481   3.971  0.00  0.00    -0.044 I 
ATOM     15  C   LIG    1        3.515  -2.365   1.864  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        2.451  -1.808   1.143  0.00  0.00    +0.029 A 
ENDBRANCH   8  10
BRANCH   5  17
ATOM     17  C   LIG    1       -1.278   2.915   0.481  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1       -0.462   4.096  -0.050  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -1.659   3.154   1.947  0.00  0.00    +0.014 C 
ENDBRANCH   5  17
BRANCH   1  21
ATOM     20  C   LIG    1       -1.499  -4.240  -1.837  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -0.561  -3.259  -2.522  0.00  0.00    +0.052 C 
ENDBRANCH   1  21
BRANCH   7  22
ATOM     22  C   LIG    1       -2.600   1.242  -2.297  0.00  0.00    +0.338 C 
ATOM     23  O   LIG    1       -3.721   0.972  -2.682  0.00  0.00    -0.245 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -2.065   2.461  -2.459  0.00  0.00    -0.477 OA
ATOM     25  H   LIG    1       -2.766   2.977  -2.911  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH   7  22
TORSDOF 5