REMARK  Name = BDB042549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.048  -0.660   3.049  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.164  -0.598   1.825  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.406  -0.577   1.194  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        2.595  -0.796   2.017  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        3.771   0.060   1.547  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1        3.952  -0.017   0.052  0.00  0.00    -0.038 C 
ATOM      7  C   LIG    1        2.930  -0.410  -0.732  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1        1.564  -0.790  -0.243  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        5.264   0.362  -0.514  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        5.904  -0.410  -1.501  0.00  0.00    +0.133 A 
ATOM     11  F   LIG    1        5.332  -1.535  -1.961  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        7.145  -0.054  -2.019  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1        7.768   1.090  -1.547  0.00  0.00    +0.126 A 
ATOM     14  F   LIG    1        8.963   1.443  -2.038  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1        7.171   1.877  -0.568  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        5.924   1.513  -0.051  0.00  0.00    +0.014 A 
ENDBRANCH   6   9
BRANCH   2  17
ATOM     17  C   LIG    1       -1.060  -0.519   0.926  0.00  0.00    +0.102 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.358  -0.550   1.736  0.00  0.00    +0.062 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.573  -0.446   0.847  0.00  0.00    +0.020 A 
ATOM     20  N   LIG    1       -3.914  -1.565   0.120  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -3.368  -2.414   0.206  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1       -4.991  -1.654  -0.735  0.00  0.00    +0.257 A 
ATOM     23  O   LIG    1       -5.238  -2.680  -1.358  0.00  0.00    -0.267 OA
ATOM     24  C   LIG    1       -5.833  -0.441  -0.860  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -5.492   0.699  -0.114  0.00  0.00    -0.011 A 
ATOM     26  C   LIG    1       -6.281   1.850  -0.223  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -7.393   1.854  -1.068  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -7.713   0.712  -1.800  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1       -8.781   0.729  -2.607  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -6.944  -0.440  -1.706  0.00  0.00    +0.052 A 
ATOM     31  C   LIG    1       -4.319   0.667   0.764  0.00  0.00    +0.030 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 4