REMARK  Name = BDB059442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.604  -0.518   1.613  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        5.088  -1.680   1.007  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        3.780  -1.682   0.506  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        2.962  -0.539   0.590  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1        1.596  -0.556   0.035  0.00  0.00    +0.050 A 
ATOM      6  N   LIG    1        0.579  -0.093   0.817  0.00  0.00    -0.346 N 
ATOM      7  C   LIG    1        0.811   0.295   2.233  0.00  0.00    +0.122 C 
ATOM      8  C   LIG    1        1.481   1.663   2.313  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1        2.642   1.865   1.337  0.00  0.00    +0.037 C 
ATOM     10  C   LIG    1       -0.683  -0.011   0.328  0.00  0.00    +0.098 A 
ATOM     11  C   LIG    1       -1.000  -0.398  -0.978  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        0.027  -0.905  -1.788  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1       -0.268  -1.329  -3.092  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -1.576  -1.277  -3.585  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -2.610  -0.782  -2.792  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1       -2.306  -0.303  -1.505  0.00  0.00    +0.171 A 
ATOM     17  C   LIG    1        1.324  -0.973  -1.275  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        3.490   0.622   1.203  0.00  0.00    -0.035 A 
ATOM     19  C   LIG    1        4.802   0.622   1.707  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1        7.483   0.562   2.638  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        6.887  -0.605   2.087  0.00  0.00    -0.491 OA
ENDBRANCH   1  21
BRANCH   2  22
ATOM     22  O   LIG    1        5.938  -2.755   0.959  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1        5.503  -3.937   0.300  0.00  0.00    +0.277 C 
ENDBRANCH   2  22
BRANCH  15  24
ATOM     24  O   LIG    1       -3.922  -0.724  -3.173  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -4.302  -1.449  -4.338  0.00  0.00    +0.277 C 
ENDBRANCH  15  24
BRANCH  16  26
ATOM     26  O   LIG    1       -3.292   0.182  -0.675  0.00  0.00    -0.483 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.787   1.457  -1.112  0.00  0.00    +0.264 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.131   1.685  -0.472  0.00  0.00    -0.010 A 
ATOM     29  C   LIG    1       -6.306   1.416  -1.190  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -7.556   1.622  -0.607  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.644   2.088   0.706  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.484   2.340   1.436  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.231   2.136   0.851  0.00  0.00    +0.007 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  16  26
TORSDOF 6