REMARK  Name = BDB049800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.844  -0.315  -0.005  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1        2.489  -0.052  -0.297  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        1.879  -0.731  -1.349  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1        0.596  -0.249  -1.374  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1       -0.119  -0.490  -2.045  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1        0.446   0.659  -0.353  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1        2.543  -1.668  -2.143  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1        3.881  -1.912  -1.830  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        4.560  -2.806  -2.562  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1        1.587   0.809   0.297  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        4.530  -1.259  -0.789  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.765   1.409  -0.057  0.00  0.00    +0.282 C 
ATOM     13  N   LIG    1       -1.966   0.705  -0.061  0.00  0.00    -0.294 N 
ATOM     14  C   LIG    1       -3.212   1.400   0.227  0.00  0.00    +0.126 C 
ATOM     15  C   LIG    1       -4.282   0.302   0.154  0.00  0.00    +0.070 C 
ATOM     16  C   LIG    1       -3.519  -0.912   0.687  0.00  0.00    +0.039 C 
ATOM     17  C   LIG    1       -2.135  -0.738   0.070  0.00  0.00    +0.110 C 
ATOM     18  O   LIG    1       -0.754   2.618   0.172  0.00  0.00    -0.267 OA
BRANCH  15  19
ATOM     19  N   LIG    1       -5.505   0.559   0.901  0.00  0.00    -0.326 NA
ATOM     20  H   LIG    1       -5.291   0.722   1.886  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -5.941   1.419   0.568  0.00  0.00    +0.119 HD
ENDBRANCH  15  19
ENDBRANCH   6  12
BRANCH   1  25
ATOM     22  N   LIG    1        3.873   1.302   1.813  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        2.909   1.544   1.589  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        4.348   1.806   2.547  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1        4.562   0.370   1.094  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        5.733   0.113   1.346  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 3