REMARK  Name = BDB049641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.988   0.416  -0.880  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.778  -0.383  -0.051  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.123  -0.092  -0.093  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -3.373   0.837  -0.407  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.292  -1.254   0.664  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.174  -0.799   0.530  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1       -5.427  -0.176   0.569  0.00  0.00    +0.145 A 
ATOM      8  F   LIG    1       -5.574   1.047   0.035  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -6.529  -0.790   1.154  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -6.391  -2.061   1.711  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -5.151  -2.721   1.671  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -4.046  -2.076   1.080  0.00  0.00    +0.038 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.986  -4.093   2.281  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1       -4.182  -4.910   1.546  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -4.444  -4.046   3.528  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -6.167  -4.761   2.414  0.00  0.00    -0.166 F 
ENDBRANCH  11  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1        3.039  -0.722   0.273  0.00  0.00    -0.300 NA
ATOM     18  C   LIG    1        2.539   0.622   0.629  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        1.015   0.770   0.601  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.486   0.341  -0.776  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        1.055  -1.017  -1.222  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        1.963  -1.624  -0.155  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1        4.237  -0.664  -0.595  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1        4.691  -2.028  -1.145  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1        5.442   0.029   0.102  0.00  0.00    +0.018 C 
BRANCH  25  27
ATOM     26  C   LIG    1        5.323  -1.029   2.448  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1        6.162  -0.744   1.215  0.00  0.00    -0.002 C 
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1       -1.518   1.162  -2.026  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.546   2.662  -1.828  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -1.464   3.498  -2.953  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.522   4.886  -2.818  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.674   5.458  -1.558  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.770   4.643  -0.433  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.712   3.254  -0.567  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 8