REMARK  Name = BDB056758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.371  -0.166  -2.339  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        0.777  -1.238  -1.575  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1       -0.566  -1.372  -1.304  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.649  -2.560  -0.588  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -1.900  -3.021  -0.152  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -3.039  -2.259  -0.441  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -2.933  -1.058  -1.144  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1        0.590  -3.119  -0.419  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1       -1.693  -0.597  -1.612  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1        1.448  -2.294  -0.992  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1       -4.122  -0.404  -1.401  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -4.103   0.972  -1.402  0.00  0.00    +0.132 A 
ATOM     13  C   LIG    1       -3.665   1.704  -0.291  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1       -3.692   3.098  -0.329  0.00  0.00    +0.133 A 
ATOM     15  C   LIG    1       -4.174   3.742  -1.476  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -4.640   3.008  -2.568  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -4.610   1.618  -2.528  0.00  0.00    +0.046 A 
BRANCH  14  18
ATOM     18  O   LIG    1       -3.302   3.946   0.669  0.00  0.00    -0.406 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.762   3.377   1.851  0.00  0.00    +0.575 C 
ATOM     20  F   LIG    1       -2.398   4.380   2.678  0.00  0.00    -0.133 F 
ATOM     21  F   LIG    1       -3.676   2.613   2.486  0.00  0.00    -0.133 F 
ATOM     22  F   LIG    1       -1.661   2.642   1.580  0.00  0.00    -0.133 F 
ENDBRANCH  18  19
ENDBRANCH  14  18
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  23
ATOM     23  C   LIG    1        2.935  -2.466  -1.042  0.00  0.00    +0.303 C 
BRANCH  23  24
ATOM     24  O   LIG    1        3.408  -2.970   0.213  0.00  0.00    -0.484 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.801  -2.075   1.169  0.00  0.00    +0.122 A 
ATOM     26  C   LIG    1        3.461  -0.724   1.216  0.00  0.00    +0.060 A 
ATOM     27  C   LIG    1        3.928   0.085   2.263  0.00  0.00    +0.062 A 
ATOM     28  C   LIG    1        4.729  -0.466   3.269  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        5.056  -1.820   3.233  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        4.589  -2.618   2.188  0.00  0.00    +0.046 A 
BRANCH  27  31
ATOM     31  C   LIG    1        3.585   1.524   2.348  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1        3.923   2.287   3.233  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1        2.833   1.948   1.316  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        2.674   2.892   1.526  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  10  23
TORSDOF 9