REMARK  Name = BDB049838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.662  -0.630   1.255  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -1.705  -0.907   0.258  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -1.989  -1.893  -0.687  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1       -0.880  -1.929  -1.490  0.00  0.00    -0.334 N 
ATOM      5  H   LIG    1       -0.713  -2.542  -2.277  0.00  0.00    +0.168 HD
ATOM      6  C   LIG    1        0.015  -0.979  -1.054  0.00  0.00    +0.195 A 
ATOM      7  C   LIG    1       -3.180  -2.622  -0.702  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -4.107  -2.320   0.296  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -5.265  -2.994   0.327  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1       -0.474  -0.348  -0.004  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1       -3.869  -1.349   1.263  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        1.310  -0.779  -1.692  0.00  0.00    +0.282 C 
ATOM     13  N   LIG    1        2.148   0.266  -1.286  0.00  0.00    -0.285 N 
ATOM     14  C   LIG    1        1.845   1.167  -0.158  0.00  0.00    +0.203 C 
ATOM     15  C   LIG    1        2.789   2.365   0.061  0.00  0.00    +0.230 C 
ATOM     16  O   LIG    1        2.590   3.223   0.918  0.00  0.00    -0.274 OA
ATOM     17  N   LIG    1        3.921   2.439  -0.710  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1        4.452   3.293  -0.583  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.061   1.674  -1.925  0.00  0.00    +0.123 C 
ATOM     20  C   LIG    1        3.531   0.256  -1.754  0.00  0.00    +0.127 C 
ATOM     21  O   LIG    1        1.657  -1.541  -2.600  0.00  0.00    -0.267 OA
ENDBRANCH   6  12
BRANCH   1  25
ATOM     22  N   LIG    1       -3.432   1.168   2.677  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -4.261   1.266   2.108  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -3.195   1.938   3.291  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -2.380   0.378   2.295  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -1.277   0.512   2.805  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 2