REMARK  Name = BDB049836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.137   0.537  -1.556  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.696   0.134  -0.143  0.00  0.00    +0.041 C 
ATOM      3  C   LIG    1        0.717   0.614   0.170  0.00  0.00    +0.110 C 
ATOM      4  N   LIG    1        0.865   2.063  -0.001  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1        1.935   2.811   0.508  0.00  0.00    +0.282 C 
ATOM      6  O   LIG    1        1.935   4.043   0.429  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1       -0.162   2.748  -0.782  0.00  0.00    +0.110 C 
ATOM      8  C   LIG    1       -0.589   1.907  -1.979  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        3.070   2.136   1.127  0.00  0.00    +0.195 A 
ATOM     10  N   LIG    1        4.128   2.829   1.668  0.00  0.00    -0.334 N 
ATOM     11  H   LIG    1        4.191   3.838   1.685  0.00  0.00    +0.168 HD
ATOM     12  C   LIG    1        5.048   1.931   2.144  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        4.502   0.682   1.849  0.00  0.00    +0.102 A 
ATOM     14  C   LIG    1        5.220  -0.475   2.216  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        6.463  -0.330   2.858  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1        6.964   0.938   3.129  0.00  0.00    +0.126 A 
ATOM     17  F   LIG    1        8.152   1.047   3.741  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        6.277   2.102   2.784  0.00  0.00    +0.066 A 
ATOM     19  N   LIG    1        3.279   0.838   1.238  0.00  0.00    -0.223 NA
BRANCH  14  20
ATOM     20  C   LIG    1        4.683  -1.816   1.903  0.00  0.00    +0.244 C 
ATOM     21  O   LIG    1        4.049  -2.060   0.886  0.00  0.00    -0.270 OA
ATOM     22  N   LIG    1        4.930  -2.802   2.822  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        4.455  -3.680   2.656  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        5.208  -2.595   3.771  0.00  0.00    +0.145 HD
ENDBRANCH  14  20
ENDBRANCH   5   9
BRANCH   1  26
ATOM     25  C   LIG    1       -3.296  -0.647  -1.793  0.00  0.00    +0.401 C 
ATOM     26  N   LIG    1       -2.589   0.510  -1.658  0.00  0.00    -0.278 N 
ATOM     27  H   LIG    1       -3.139   1.305  -1.362  0.00  0.00    +0.152 HD
ATOM     28  O   LIG    1       -2.810  -1.751  -1.973  0.00  0.00    -0.226 OA
BRANCH  25  29
ATOM     29  O   LIG    1       -4.613  -0.359  -1.677  0.00  0.00    -0.445 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -5.588  -2.080  -3.149  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -5.609  -1.409  -1.770  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1       -5.454  -2.428  -0.635  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -6.954  -0.686  -1.599  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH   1  26
TORSDOF 5