REMARK  Name = BDB050081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.559   0.618   0.353  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1       -0.267   0.563   0.170  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1        0.467   1.310   1.050  0.00  0.00    -0.211 N 
ATOM      4  C   LIG    1       -0.024   2.089   2.085  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        0.940   2.658   2.776  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        2.095   2.238   2.171  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -1.423   2.156   2.237  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.849   1.406   1.091  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -2.205   1.455   1.409  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.785   0.735   0.186  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        3.983   0.202   0.685  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        4.906  -0.439  -0.160  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        4.625  -0.524  -1.531  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.442   0.006  -2.040  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.530   0.631  -1.187  0.00  0.00    +0.010 A 
BRANCH  12  16
ATOM     16  C   LIG    1        6.192  -0.992   0.398  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1        6.056  -1.497   1.656  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        6.716  -2.002  -0.351  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        7.168  -0.045   0.481  0.00  0.00    -0.166 F 
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  20
ATOM     20  N   LIG    1       -2.313  -0.132  -0.516  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1       -1.691  -0.642  -1.150  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  CA  LIG    1       -3.404  -1.007  -0.078  0.00  0.00    +0.097 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -5.240   0.418  -1.112  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -4.539  -0.935  -1.112  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -2.860  -2.446   0.060  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -2.293  -2.910  -1.166  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -3.023  -3.126  -1.772  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7