REMARK  Name = BDB055721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.210  -2.225  -0.377  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.130  -3.398   0.367  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.919  -4.446   0.089  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.749  -3.488   1.442  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.559  -2.398   1.770  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -1.497  -1.212   1.020  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -0.618  -1.139  -0.071  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.815  -2.851  -2.511  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.111  -2.161  -1.538  0.00  0.00    +0.250 C 
ATOM     10  N   LIG    1        2.205  -1.295  -1.511  0.00  0.00    -0.289 N 
ATOM     11  C   LIG    1        2.676  -0.556  -0.321  0.00  0.00    +0.121 C 
ATOM     12  C   LIG    1        3.287  -1.458   0.779  0.00  0.00    +0.108 C 
ATOM     13  N   LIG    1        3.544  -0.665   1.994  0.00  0.00    -0.310 NA
ATOM     14  H   LIG    1        3.869  -1.281   2.738  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        4.566   0.362   1.752  0.00  0.00    +0.116 C 
ATOM     16  C   LIG    1        4.482   1.059   0.411  0.00  0.00    -0.028 A 
ATOM     17  C   LIG    1        5.312   2.161   0.158  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        5.355   2.742  -1.110  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.605   2.202  -2.153  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        3.787   1.091  -1.925  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1        3.048   0.424  -3.054  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        3.678   0.553  -0.630  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1        2.933  -1.074  -2.760  0.00  0.00    +0.113 C 
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1       -2.392  -0.041   1.362  0.00  0.00    +0.093 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.745  -0.027   0.658  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -4.664   1.111   0.927  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -5.896   1.107   0.274  0.00  0.00    +0.050 A 
ATOM     28  C   LIG    1       -6.813   2.146   0.477  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1       -6.494   3.193   1.340  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -5.264   3.202   1.997  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.224  -0.003  -0.634  0.00  0.00    +0.272 A 
ATOM     32  O   LIG    1       -7.296  -0.045  -1.228  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -5.265  -0.974  -0.767  0.00  0.00    -0.242 N 
ATOM     34  H   LIG    1       -5.467  -1.749  -1.393  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1       -4.348   2.165   1.794  0.00  0.00    +0.010 A 
ATOM     36  N   LIG    1       -4.057  -1.000  -0.146  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 3