REMARK  Name = BDB055827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.855   2.290  -2.068  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.643   1.032  -1.291  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1       -1.316   0.590  -0.837  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1       -0.174   1.256  -1.085  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1       -1.514  -0.669  -0.097  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1       -2.900  -0.918  -0.137  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -3.439  -2.042   0.475  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.571  -2.912   1.126  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1       -1.195  -2.676   1.171  0.00  0.00    +0.039 A 
ATOM     10  F   LIG    1       -3.066  -4.004   1.724  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -0.655  -1.544   0.554  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -3.583   0.152  -0.883  0.00  0.00    -0.025 C 
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1        1.174   0.877  -0.662  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        1.672   1.310   0.570  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        2.958   0.945   0.976  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        3.769   0.144   0.157  0.00  0.00    -0.045 A 
ATOM     17  C   LIG    1        3.260  -0.280  -1.080  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        1.974   0.084  -1.487  0.00  0.00    +0.008 A 
BRANCH  16  19
ATOM     19  C   LIG    1        5.168  -0.268   0.579  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        5.142  -1.129   1.844  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1        6.081   0.946   0.764  0.00  0.00    +0.012 C 
ENDBRANCH  16  19
ENDBRANCH   4  13
BRANCH  12  22
ATOM     22  C   LIG    1       -5.058   0.157  -1.115  0.00  0.00    +0.156 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.814   0.641   0.103  0.00  0.00    +0.309 C 
ATOM     24  O   LIG    1       -5.430   1.402   0.975  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -7.079   0.168   0.132  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -7.457   0.569   0.944  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  12  22
TORSDOF 5