REMARK  Name = BDB005211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.999  -1.327  -2.043  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        1.696  -0.108  -1.173  0.00  0.00    +0.105 C 
ATOM      3  N   LIG    1        2.150  -0.279   0.205  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1        3.136   0.654   0.538  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1        3.628   0.820   1.639  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        3.420   1.480  -0.647  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        4.303   2.536  -0.861  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        4.243   3.169  -2.120  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        3.337   2.752  -3.098  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1        3.310   3.381  -4.280  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        2.466   1.695  -2.873  0.00  0.00    +0.044 A 
ATOM     12  C   LIG    1        2.520   1.061  -1.641  0.00  0.00    -0.012 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1        1.300  -0.824   1.279  0.00  0.00    +0.079 C 
ATOM     14  C   LIG    1        0.633  -2.170   0.984  0.00  0.00    +0.038 C 
ATOM     15  C   LIG    1       -0.721  -2.078   0.271  0.00  0.00    +0.086 C 
ATOM     16  N   LIG    1       -1.468  -0.844   0.538  0.00  0.00    -0.299 NA
ATOM     17  C   LIG    1       -1.139  -0.277   1.844  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1        0.301   0.229   1.802  0.00  0.00    +0.038 C 
BRANCH  16  19
ATOM     19  C   LIG    1       -2.908  -0.990   0.256  0.00  0.00    +0.057 C 
ATOM     20  C   LIG    1       -3.743  -1.624   1.380  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -5.181  -1.900   0.927  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -5.680  -0.941  -0.155  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -5.034   0.432  -0.038  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -3.508   0.370  -0.168  0.00  0.00    +0.019 C 
ENDBRANCH  16  19
ENDBRANCH   3  13
BRANCH   7  25
ATOM     25  C   LIG    1        5.318   3.079   0.085  0.00  0.00    +0.242 C 
ATOM     26  O   LIG    1        5.915   4.120  -0.172  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1        5.609   2.412   1.234  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1        5.000   1.693   1.623  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1        6.217   2.882   1.890  0.00  0.00    +0.145 HD
ENDBRANCH   7  25
TORSDOF 3