REMARK  Name = BDB042645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.173  -2.697   0.553  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1       -1.205  -2.732   0.526  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -2.068  -2.442  -0.609  0.00  0.00    +0.094 C 
ATOM      4  C   LIG    1       -2.170  -0.899  -0.791  0.00  0.00    +0.127 C 
ATOM      5  N   LIG    1       -2.550  -0.188   0.466  0.00  0.00    -0.326 N 
ATOM      6  C   LIG    1       -2.045  -0.787   1.743  0.00  0.00    +0.127 C 
ATOM      7  C   LIG    1       -3.414  -3.017  -0.148  0.00  0.00    +0.026 C 
ATOM      8  C   LIG    1       -3.362  -2.933   1.386  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1       -1.981  -2.338   1.690  0.00  0.00    +0.094 C 
ATOM     10  O   LIG    1        0.792  -2.531   1.602  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.692   1.210   0.408  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -2.615   2.023   1.557  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -2.765   3.415   1.502  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -3.011   4.028   0.287  0.00  0.00    +0.124 A 
ATOM     15  F   LIG    1       -3.153   5.358   0.229  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -3.116   3.274  -0.867  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -2.965   1.882  -0.801  0.00  0.00    +0.026 A 
ENDBRANCH   5  11
BRANCH   1  18
ATOM     18  C   LIG    1        0.870  -2.913  -0.779  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.396  -2.808  -0.688  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1        0.873   2.314   0.074  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        2.359   2.244  -0.149  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        3.034   1.023  -0.372  0.00  0.00    -0.008 A 
ATOM     23  C   LIG    1        4.429   1.039  -0.567  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        5.142  -0.239  -0.801  0.00  0.00    +0.257 A 
ATOM     25  N   LIG    1        4.371  -1.377  -0.812  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1        4.888  -2.236  -0.958  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1        3.007  -1.419  -0.622  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1        6.354  -0.280  -0.980  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1        5.154   2.233  -0.545  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        4.478   3.421  -0.325  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1        5.159   4.574  -0.302  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1        2.337  -0.273  -0.411  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        3.101   3.438  -0.129  0.00  0.00    +0.042 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 4