REMARK  Name = BDB035917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.885  -0.759  -0.515  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1        1.083  -0.225   0.615  0.00  0.00    +0.084 C 
ATOM      3  C   LIG    1        0.067   0.775   0.053  0.00  0.00    +0.029 C 
ATOM      4  C   LIG    1        0.409  -1.355   1.447  0.00  0.00    +0.107 C 
ATOM      5  N   LIG    1       -0.276  -2.419   0.706  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1        0.074  -2.482  -0.714  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1        1.556  -2.132  -0.967  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.968   0.032  -0.761  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1        5.427  -0.084   0.483  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        4.095  -0.339   0.530  0.00  0.00    +0.134 A 
ATOM     11  C   LIG    1        3.255  -0.485  -0.579  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        3.874  -0.367  -1.830  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        5.240  -0.104  -1.932  0.00  0.00    +0.035 A 
BRANCH   8  17
ATOM     14  C   LIG    1        9.459   0.612   0.566  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.038   0.466   0.410  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.446   0.281   1.216  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.440   0.313  -0.823  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.037   0.383  -1.891  0.00  0.00    -0.269 OA
ENDBRANCH   8  17
ENDBRANCH   1  11
BRANCH   5  19
ATOM     19  C   LIG    1       -1.673  -2.671   1.040  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.664  -1.614   0.631  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1       -3.031  -0.571   1.482  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -3.954   0.398   1.060  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1       -4.338   1.512   1.978  0.00  0.00    +0.116 C 
ATOM     24  C   LIG    1       -5.364   2.473   1.435  0.00  0.00    +0.172 C 
ATOM     25  C   LIG    1       -5.929   2.279   0.070  0.00  0.00    +0.102 C 
ATOM     26  C   LIG    1       -5.474   1.277  -0.718  0.00  0.00    -0.010 C 
ATOM     27  C   LIG    1       -5.902   1.071  -2.153  0.00  0.00    +0.046 C 
ATOM     28  O   LIG    1       -5.713   3.429   2.127  0.00  0.00    -0.292 OA
ATOM     29  C   LIG    1       -4.491   0.292  -0.215  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1       -4.166  -0.722  -1.046  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1       -3.272  -1.641  -0.615  0.00  0.00    +0.116 A 
BRANCH  25  32
ATOM     32  C   LIG    1       -6.987   3.290  -0.240  0.00  0.00    +0.421 C 
ATOM     33  F   LIG    1       -7.674   3.020  -1.383  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -7.941   3.362   0.725  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1       -6.471   4.535  -0.402  0.00  0.00    -0.166 F 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 5