REMARK  Name = BDB059462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.595   0.134  -0.486  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -3.421  -0.023   0.902  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -2.213  -0.533   1.393  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.173  -0.894   0.520  0.00  0.00    -0.026 A 
ATOM      5  C   LIG    1        0.136  -1.403   1.091  0.00  0.00    +0.121 C 
ATOM      6  N   LIG    1        1.054  -2.001   0.101  0.00  0.00    -0.278 NA
ATOM      7  C   LIG    1        1.146  -1.183  -1.132  0.00  0.00    +0.093 C 
ATOM      8  C   LIG    1       -0.250  -1.143  -1.799  0.00  0.00    +0.059 C 
ATOM      9  C   LIG    1        1.879   0.146  -0.921  0.00  0.00    -0.023 A 
ATOM     10  C   LIG    1        2.893   0.235   0.080  0.00  0.00    -0.037 A 
ATOM     11  C   LIG    1        3.624   1.423   0.259  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        3.344   2.487  -0.567  0.00  0.00    +0.167 A 
ATOM     13  O   LIG    1        3.953   3.702  -0.534  0.00  0.00    -0.453 OA
ATOM     14  C   LIG    1        3.256   4.382  -1.598  0.00  0.00    +0.466 C 
ATOM     15  O   LIG    1        2.265   3.561  -2.252  0.00  0.00    -0.453 OA
ATOM     16  C   LIG    1        2.382   2.407  -1.541  0.00  0.00    +0.167 A 
ATOM     17  C   LIG    1        3.161  -0.920   1.022  0.00  0.00    +0.066 C 
ATOM     18  C   LIG    1        1.642   1.260  -1.746  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        2.428  -2.214   0.628  0.00  0.00    +0.171 C 
ATOM     20  C   LIG    1       -1.345  -0.718  -0.857  0.00  0.00    -0.037 A 
ATOM     21  C   LIG    1       -2.558  -0.219  -1.355  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  23
ATOM     22  C   LIG    1       -5.016   0.824  -2.280  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -4.809   0.635  -0.888  0.00  0.00    -0.491 OA
ENDBRANCH   1  23
BRANCH   2  24
ATOM     24  O   LIG    1       -4.482   0.350   1.690  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -4.352   0.187   3.094  0.00  0.00    +0.277 C 
ENDBRANCH   2  24
BRANCH  19  26
ATOM     26  C   LIG    1        2.445  -3.253   1.748  0.00  0.00    +0.322 C 
ATOM     27  O   LIG    1        2.646  -4.451   1.613  0.00  0.00    -0.249 OA
BRANCH  26  28
ATOM     28  O   LIG    1        2.168  -2.762   2.975  0.00  0.00    -0.480 OA
ATOM     29  H   LIG    1        2.169  -3.562   3.543  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  19  26
TORSDOF 4