REMARK  Name = BDB056767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.594  -1.267   0.237  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.486  -0.307  -0.837  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        0.684   0.084  -1.447  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.274   0.996  -2.414  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        1.227   1.595  -3.253  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.577   1.266  -3.084  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        2.967   0.370  -2.088  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -1.086   1.164  -2.388  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.029  -0.261  -1.258  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -1.529   0.385  -1.417  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.314   0.081  -2.006  0.00  0.00    -0.456 OA
BRANCH  11  12
ATOM     12  C   LIG    1        4.899   0.155  -0.762  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1        5.795  -0.861  -0.428  0.00  0.00    +0.058 A 
ATOM     14  C   LIG    1        6.456  -0.846   0.810  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        6.222   0.222   1.691  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        5.341   1.248   1.345  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.684   1.219   0.116  0.00  0.00    +0.046 A 
BRANCH  14  18
ATOM     18  C   LIG    1        7.432  -1.940   1.165  0.00  0.00    +0.418 C 
ATOM     19  F   LIG    1        7.069  -3.157   0.672  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        7.576  -2.114   2.509  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        8.681  -1.697   0.683  0.00  0.00    -0.166 F 
ENDBRANCH  14  18
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  22
ATOM     22  C   LIG    1       -2.963   0.240  -1.015  0.00  0.00    +0.303 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -3.039   0.487   0.390  0.00  0.00    -0.484 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -4.271   0.386   0.975  0.00  0.00    +0.122 A 
ATOM     25  C   LIG    1       -5.466   0.071   0.327  0.00  0.00    +0.060 A 
ATOM     26  C   LIG    1       -6.662  -0.002   1.058  0.00  0.00    +0.062 A 
ATOM     27  C   LIG    1       -6.658   0.241   2.436  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -5.465   0.557   3.083  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -4.279   0.628   2.352  0.00  0.00    +0.046 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -7.956  -0.334   0.412  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1       -9.034  -0.408   0.972  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.838  -0.562  -0.907  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -8.755  -0.759  -1.194  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  10  22
TORSDOF 8