REMARK  Name = BDB057732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.241  -1.600  -0.939  0.00  0.00    +0.030 C 
ATOM      2  C   LIG    1       -1.043  -2.538  -0.916  0.00  0.00    +0.025 C 
ATOM      3  C   LIG    1       -1.565  -1.994  -2.226  0.00  0.00    +0.015 C 
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        0.290  -2.098  -0.360  0.00  0.00    -0.043 A 
ATOM      5  C   LIG    1        0.452  -1.879   1.016  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        1.673  -1.466   1.570  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1        1.762  -1.260   3.054  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1        2.757  -1.223   0.714  0.00  0.00    +0.128 A 
ATOM      9  C   LIG    1        2.662  -1.524  -0.652  0.00  0.00    -0.008 A 
ATOM     10  C   LIG    1        3.837  -1.409  -1.578  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1        1.423  -1.939  -1.172  0.00  0.00    +0.011 A 
BRANCH   8  12
ATOM     12  O   LIG    1        3.940  -0.786   1.244  0.00  0.00    -0.475 OA
BRANCH  12  13
ATOM     13  C   LIG    1        4.190   0.640   1.241  0.00  0.00    +0.200 C 
ATOM     14  C   LIG    1        4.558   1.006   2.688  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1        3.037   1.545   0.766  0.00  0.00    +0.067 C 
BRANCH  13  16
ATOM     16  C   LIG    1        5.450   0.904   0.395  0.00  0.00    +0.348 C 
ATOM     17  O   LIG    1        6.217   0.080  -0.079  0.00  0.00    -0.247 OA
BRANCH  16  18
ATOM     18  O   LIG    1        5.719   2.217   0.214  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1        6.549   2.209  -0.309  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   2   4
BRANCH   1  20
ATOM     20  C   LIG    1       -2.183  -0.170  -0.457  0.00  0.00    +0.155 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.187   0.678  -1.226  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -4.575   0.608  -1.014  0.00  0.00    +0.136 A 
ATOM     23  C   LIG    1       -5.455   1.380  -1.781  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -4.959   2.262  -2.739  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -3.587   2.360  -2.948  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -2.708   1.571  -2.203  0.00  0.00    +0.010 A 
BRANCH  22  27
ATOM     27  O   LIG    1       -5.067  -0.291  -0.108  0.00  0.00    -0.405 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -5.691   0.347   1.000  0.00  0.00    +0.575 C 
ATOM     29  F   LIG    1       -4.991   1.414   1.447  0.00  0.00    -0.133 F 
ATOM     30  F   LIG    1       -6.939   0.751   0.668  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1       -5.803  -0.541   2.013  0.00  0.00    -0.133 F 
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  20  21
BRANCH  20  33
ATOM     32  C   LIG    1       -1.900   0.970   1.605  0.00  0.00    +0.194 C 
ATOM     33  O   LIG    1       -2.462  -0.159   0.948  0.00  0.00    -0.375 OA
ENDBRANCH  20  33
ENDBRANCH   1  20
TORSDOF 10