REMARK  Name = BDB021917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.024  -2.207  -0.149  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        2.542  -1.086  -0.007  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.206  -0.915   0.332  0.00  0.00    -0.283 N 
ATOM      4  C   LIG    1        0.343  -2.098   0.367  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -1.139  -1.719   0.184  0.00  0.00    +0.104 C 
ATOM      6  N   LIG    1       -1.628  -0.825   1.247  0.00  0.00    -0.289 NA
ATOM      7  C   LIG    1       -0.591   0.084   1.761  0.00  0.00    +0.104 C 
ATOM      8  C   LIG    1        0.595   0.332   0.808  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1        3.232   0.094  -0.180  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1        2.657   0.899  -0.369  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        4.616   0.257  -0.389  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        5.064   1.531  -0.762  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        6.429   1.786  -0.986  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1        7.351   0.747  -0.808  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        6.914  -0.520  -0.427  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.553  -0.763  -0.217  0.00  0.00    +0.023 A 
BRANCH  13  17
ATOM     17  C   LIG    1        6.892   3.168  -1.370  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        8.046   3.170  -2.094  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        7.130   3.954  -0.284  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.980   3.844  -2.125  0.00  0.00    -0.166 F 
ENDBRANCH  13  17
ENDBRANCH   9  11
BRANCH   6  21
ATOM     21  C   LIG    1       -2.952  -0.192   1.026  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.134  -1.183   1.072  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1       -5.389  -0.857   0.523  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -6.474  -1.734   0.617  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.337  -2.945   1.287  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.121  -3.273   1.877  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.037  -2.395   1.782  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
BRANCH  21  28
ATOM     28  C   LIG    1       -2.963   0.806  -0.143  0.00  0.00    -0.026 A 
ATOM     29  C   LIG    1       -2.815   2.182   0.111  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -2.809   3.110  -0.933  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.954   2.679  -2.249  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.110   1.323  -2.522  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.117   0.395  -1.479  0.00  0.00    +0.005 A 
ENDBRANCH  21  28
ENDBRANCH   6  21
TORSDOF 5