REMARK  Name = BDB053224
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.620  -2.193   1.458  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.712  -1.193   0.757  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1       -0.323  -0.466   0.194  0.00  0.00    -0.281 N 
ATOM      4  H   LIG    1       -0.063   0.419  -0.209  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.710  -0.773   0.205  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1       -2.650   0.164  -0.295  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -4.021  -0.185  -0.295  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -5.032   0.772  -0.820  0.00  0.00    +0.257 A 
ATOM      9  N   LIG    1       -4.551   1.976  -1.279  0.00  0.00    -0.329 N 
ATOM     10  H   LIG    1       -5.253   2.618  -1.630  0.00  0.00    +0.168 HD
ATOM     11  C   LIG    1       -3.233   2.330  -1.271  0.00  0.00    +0.086 A 
ATOM     12  O   LIG    1       -6.229   0.509  -0.847  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.461  -1.421   0.187  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -3.536  -2.331   0.676  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.289   1.502  -0.811  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -2.176  -2.010   0.681  0.00  0.00    +0.024 A 
ENDBRANCH   3   5
BRANCH   2  17
ATOM     17  C   LIG    1        2.072  -0.639   0.503  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        2.417  -0.074  -0.731  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        3.705   0.431  -0.932  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        4.667   0.365   0.090  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        4.314  -0.211   1.320  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        3.028  -0.718   1.522  0.00  0.00    +0.013 A 
BRANCH  20  23
ATOM     23  C   LIG    1        6.052   0.932  -0.125  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1        7.002   0.340   0.648  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        6.483   0.804  -1.411  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        6.111   2.262   0.158  0.00  0.00    -0.166 F 
ENDBRANCH  20  23
ENDBRANCH   2  17
TORSDOF 3