REMARK  Name = BDB055068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.138  -0.136  -1.801  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        2.026  -0.842  -0.808  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        3.014  -1.143   0.105  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.803  -1.903   0.732  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1        0.846  -1.477  -0.473  0.00  0.00    -0.295 N 
ATOM      6  H   LIG    1        0.703  -1.638   0.512  0.00  0.00    +0.151 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        4.326  -0.634   0.151  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        4.793   0.394  -0.668  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        6.113   0.857  -0.559  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        6.982   0.296   0.375  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1        6.514  -0.729   1.199  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        5.198  -1.190   1.091  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  O   LIG    1        8.284   0.645   0.589  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1        8.831   1.679  -0.211  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1       10.118   1.871   0.153  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1        8.811   1.347  -1.520  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        8.168   2.841  -0.028  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  18
ATOM     18  C   LIG    1       -0.358  -1.252  -1.244  0.00  0.00    +0.141 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.241  -0.225  -0.581  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -2.342  -0.618   0.196  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -3.160   0.333   0.828  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1       -2.851   1.692   0.682  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -1.755   2.092  -0.082  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -0.954   1.140  -0.709  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -4.352  -0.096   1.650  0.00  0.00    +0.157 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -5.423  -0.633   0.810  0.00  0.00    -0.337 N 
ATOM     27  C   LIG    1       -6.340   0.097   0.070  0.00  0.00    +0.127 A 
ATOM     28  C   LIG    1       -7.143  -0.835  -0.580  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1       -6.707  -2.131  -0.227  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -5.651  -1.979   0.637  0.00  0.00    +0.087 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -6.419   1.542   0.050  0.00  0.00    +0.353 C 
ATOM     32  O   LIG    1       -6.104   2.291   0.962  0.00  0.00    -0.243 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -6.889   2.009  -1.132  0.00  0.00    -0.476 OA
ATOM     34  H   LIG    1       -6.959   1.308  -1.805  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 9