REMARK  Name = BDB054803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.429   0.582   2.135  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.598   1.197   1.193  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1       -1.660   0.315   0.597  0.00  0.00    +0.059 A 
ATOM      4  N   LIG    1       -1.682  -1.058   0.825  0.00  0.00    -0.342 N 
ATOM      5  H   LIG    1       -0.762  -1.461   0.987  0.00  0.00    +0.146 HD
ATOM      6  C   LIG    1       -2.544  -1.918   0.016  0.00  0.00    +0.102 C 
ATOM      7  C   LIG    1       -3.892  -1.234  -0.191  0.00  0.00    +0.023 C 
ATOM      8  C   LIG    1       -3.716   0.166  -0.794  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -2.583   0.926  -0.162  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -2.495   2.380  -0.421  0.00  0.00    +0.270 A 
ATOM     11  O   LIG    1       -3.321   2.964  -1.116  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1       -1.431   3.030   0.145  0.00  0.00    -0.243 N 
ATOM     13  H   LIG    1       -1.361   4.029  -0.017  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -0.494   2.473   0.961  0.00  0.00    -0.174 NA
ENDBRANCH   1   2
BRANCH   1  20
ATOM     15  C   LIG    1        3.199  -0.389  -0.334  0.00  0.00    +0.072 A 
ATOM     16  C   LIG    1        3.562  -1.639   0.161  0.00  0.00    +0.135 A 
ATOM     17  F   LIG    1        4.545  -2.356  -0.404  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        2.935  -2.164   1.288  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        1.923  -1.443   1.924  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        1.522  -0.193   1.429  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1        2.179   0.335   0.303  0.00  0.00    +0.020 A 
BRANCH  15  25
ATOM     22  N   LIG    1        4.049   1.502  -1.596  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        3.950   2.101  -0.788  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        4.603   1.847  -2.370  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1        3.872   0.146  -1.539  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        4.259  -0.574  -2.448  0.00  0.00    -0.270 OA
ENDBRANCH  15  25
ENDBRANCH   1  20
TORSDOF 3