REMARK  Name = BDB055840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.078   1.162  -1.991  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -0.045   0.677  -0.861  0.00  0.00    +0.188 C 
ATOM      3  C   LIG    1        1.252   0.392  -0.171  0.00  0.00    +0.014 C 
ATOM      4  C   LIG    1        2.365   0.482  -0.927  0.00  0.00    +0.019 C 
ATOM      5  C   LIG    1        1.205   0.012   1.276  0.00  0.00    +0.120 C 
ATOM      6  N   LIG    1        0.028  -0.775   1.624  0.00  0.00    -0.308 NA
ATOM      7  H   LIG    1        0.028  -1.653   1.105  0.00  0.00    +0.123 HD
ATOM      8  C   LIG    1       -1.181  -0.018   1.326  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -1.301   0.336  -0.122  0.00  0.00    +0.014 C 
ATOM     10  C   LIG    1       -2.443   0.351  -0.838  0.00  0.00    +0.019 C 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        3.741   0.259  -0.465  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1        4.321   1.014   0.561  0.00  0.00    +0.131 A 
ATOM     13  F   LIG    1        3.613   1.971   1.182  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        5.636   0.796   0.964  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        6.398  -0.185   0.333  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        5.840  -0.940  -0.700  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.519  -0.716  -1.101  0.00  0.00    +0.011 A 
ENDBRANCH   4  11
BRANCH  10  18
ATOM     18  C   LIG    1       -3.776   0.059  -0.301  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -4.463  -1.091  -0.701  0.00  0.00    +0.131 A 
ATOM     20  F   LIG    1       -3.902  -1.946  -1.570  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -5.732  -1.380  -0.206  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -6.335  -0.508   0.700  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1       -5.666   0.649   1.101  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.392   0.935   0.602  0.00  0.00    +0.011 A 
ENDBRANCH  10  18
TORSDOF 2