REMARK  Name = BDB008850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.000  -0.302   0.390  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.225  -1.260   1.375  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.247  -2.122   1.280  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.606  -1.330   2.489  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        1.684  -0.450   2.608  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.950   0.497   1.605  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.090   0.571   0.497  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1       -0.272  -0.367  -1.898  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.843  -0.246  -0.816  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -2.216  -0.060  -0.686  0.00  0.00    -0.294 N 
ATOM     11  C   LIG    1       -3.003   0.040  -1.919  0.00  0.00    +0.127 C 
ATOM     12  C   LIG    1       -4.464  -0.405  -1.731  0.00  0.00    +0.127 C 
ATOM     13  N   LIG    1       -5.072   0.255  -0.563  0.00  0.00    -0.297 N 
ATOM     14  C   LIG    1       -4.302   0.122   0.683  0.00  0.00    +0.127 C 
ATOM     15  C   LIG    1       -2.847   0.579   0.477  0.00  0.00    +0.127 C 
BRANCH  13  16
ATOM     16  C   LIG    1       -6.434  -0.025  -0.411  0.00  0.00    +0.218 A 
ATOM     17  N   LIG    1       -6.994   0.109   0.805  0.00  0.00    -0.223 NA
ATOM     18  C   LIG    1       -8.314  -0.135   0.922  0.00  0.00    +0.116 A 
ATOM     19  C   LIG    1       -9.111  -0.509  -0.126  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -8.466  -0.621  -1.328  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -7.149  -0.388  -1.491  0.00  0.00    -0.223 NA
ENDBRANCH  13  16
ENDBRANCH   1   9
BRANCH   6  22
ATOM     22  C   LIG    1        3.118   1.446   1.756  0.00  0.00    +0.092 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.918   1.668   0.476  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        4.779   0.569  -0.063  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        4.901  -0.745   0.657  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1        6.068  -1.603   0.157  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.134  -1.604  -1.365  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        6.306  -0.184  -1.908  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        5.431   0.822  -1.212  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1        5.304   2.149  -1.864  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1        5.906   2.423  -2.897  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1        4.484   3.048  -1.238  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1        4.378   3.958  -1.672  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1        3.790   2.833  -0.089  0.00  0.00    -0.175 NA
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 4