REMARK  Name = BDB055067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.160  -0.055  -1.920  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        2.251  -0.945  -1.085  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        3.277  -1.126  -0.183  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        3.294  -2.025   0.274  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1        1.306  -1.943  -0.950  0.00  0.00    -0.295 N 
ATOM      6  H   LIG    1        1.207  -2.326  -0.023  0.00  0.00    +0.151 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        4.383  -0.283   0.043  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        5.376  -0.743   0.915  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        6.505   0.037   1.201  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        6.653   1.294   0.618  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1        5.660   1.756  -0.248  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        4.532   0.977  -0.533  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  O   LIG    1        7.692   2.159   0.801  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1        8.741   1.760   1.666  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1        9.665   2.745   1.713  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1        9.345   0.639   1.216  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        8.286   1.552   2.921  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  18
ATOM     18  C   LIG    1        0.093  -1.921  -1.740  0.00  0.00    +0.141 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.047  -1.313  -0.962  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -1.961  -2.124  -0.279  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.005  -1.553   0.456  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -3.156  -0.160   0.524  0.00  0.00    -0.028 A 
ATOM     23  C   LIG    1       -2.229   0.647  -0.148  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -1.186   0.077  -0.883  0.00  0.00    +0.005 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -4.274   0.465   1.325  0.00  0.00    +0.157 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -5.593   0.135   0.784  0.00  0.00    -0.337 N 
ATOM     27  C   LIG    1       -6.243   0.763  -0.266  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1       -7.445   0.086  -0.436  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1       -7.540  -0.925   0.544  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -6.393  -0.863   1.296  0.00  0.00    +0.087 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -5.743   1.891  -1.010  0.00  0.00    +0.353 C 
ATOM     32  O   LIG    1       -4.753   2.571  -0.785  0.00  0.00    -0.243 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -6.536   2.181  -2.063  0.00  0.00    -0.476 OA
ATOM     34  H   LIG    1       -6.087   2.946  -2.475  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 9