REMARK  Name = BDB009319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.733  -0.948   1.950  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.119  -2.001   2.771  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.682  -2.089   4.035  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.942  -3.007   2.274  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.389  -2.952   0.950  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.019  -1.887   0.115  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.182  -0.881   0.626  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  N   LIG    1        4.290   0.513   1.190  0.00  0.00    -0.298 NA
ATOM      9  C   LIG    1        3.617  -0.793   1.359  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        2.089  -0.779   1.156  0.00  0.00    +0.123 C 
ATOM     11  N   LIG    1        1.425   0.217   2.005  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        0.127   0.116   2.490  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -0.359   0.884   3.316  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        2.263   1.324   2.469  0.00  0.00    +0.123 C 
ATOM     15  C   LIG    1        3.378   1.649   1.459  0.00  0.00    +0.103 C 
BRANCH   8  16
ATOM     16  C   LIG    1        4.952   0.623  -0.126  0.00  0.00    +0.100 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.829   1.894  -0.282  0.00  0.00    +0.099 C 
BRANCH  17  19
ATOM     18  C   LIG    1        5.750   2.075  -2.721  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        6.599   2.033  -1.533  0.00  0.00    -0.307 NA
ATOM     20  C   LIG    1        7.647   1.025  -1.668  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  C   LIG    1       -2.507  -1.819  -1.315  0.00  0.00    +0.094 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.353  -0.581  -1.592  0.00  0.00    +0.087 A 
ATOM     23  C   LIG    1       -4.788  -0.554  -1.134  0.00  0.00    +0.059 A 
ATOM     24  N   LIG    1       -5.396  -1.655  -0.539  0.00  0.00    -0.342 N 
ATOM     25  H   LIG    1       -4.993  -2.554  -0.781  0.00  0.00    +0.146 HD
ATOM     26  C   LIG    1       -6.841  -1.686  -0.337  0.00  0.00    +0.102 C 
ATOM     27  C   LIG    1       -7.321  -0.307   0.112  0.00  0.00    +0.023 C 
ATOM     28  C   LIG    1       -6.870   0.785  -0.869  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -5.447   0.602  -1.322  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1       -4.789   1.739  -2.005  0.00  0.00    +0.270 A 
ATOM     31  O   LIG    1       -5.378   2.795  -2.215  0.00  0.00    -0.266 OA
ATOM     32  N   LIG    1       -3.495   1.534  -2.407  0.00  0.00    -0.243 N 
ATOM     33  H   LIG    1       -3.027   2.308  -2.869  0.00  0.00    +0.192 HD
ATOM     34  N   LIG    1       -2.760   0.407  -2.199  0.00  0.00    -0.174 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 6