REMARK  Name = BDB042770
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.298  -1.414   0.326  0.00  0.00    +0.087 C 
ATOM      2  C   LIG    1       -0.797  -1.001  -0.647  0.00  0.00    +0.080 A 
ATOM      3  C   LIG    1       -1.766   0.011  -0.203  0.00  0.00    +0.032 A 
ATOM      4  C   LIG    1       -2.709   0.460  -1.121  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -2.726  -0.140  -2.462  0.00  0.00    +0.273 A 
ATOM      6  N   LIG    1       -1.791  -1.121  -2.699  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -1.781  -1.538  -3.626  0.00  0.00    +0.192 HD
ATOM      8  O   LIG    1       -3.541   0.217  -3.305  0.00  0.00    -0.266 OA
ATOM      9  C   LIG    1       -3.619   1.453  -0.763  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -3.556   1.982   0.519  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -4.409   2.951   0.874  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -2.621   1.523   1.448  0.00  0.00    +0.062 A 
ATOM     13  C   LIG    1       -1.734   0.496   1.111  0.00  0.00    +0.040 A 
ATOM     14  N   LIG    1       -0.764   0.083   2.036  0.00  0.00    -0.342 N 
ATOM     15  H   LIG    1       -1.069   0.200   3.002  0.00  0.00    +0.146 HD
ATOM     16  N   LIG    1       -0.826  -1.539  -1.832  0.00  0.00    -0.175 NA
ATOM     17  C   LIG    1       -0.191  -1.241   1.773  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1  22
ATOM     18  C   LIG    1        4.089   0.407  -0.793  0.00  0.00    +0.087 A 
ATOM     19  C   LIG    1        3.680  -0.805  -1.336  0.00  0.00    +0.141 A 
ATOM     20  F   LIG    1        4.449  -1.445  -2.229  0.00  0.00    -0.204 F 
ATOM     21  C   LIG    1        2.466  -1.381  -0.966  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1        1.627  -0.753  -0.028  0.00  0.00    -0.034 A 
ATOM     23  C   LIG    1        2.040   0.477   0.506  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        3.262   1.051   0.131  0.00  0.00    +0.022 A 
BRANCH  18  26
ATOM     25  N   LIG    1        6.346   1.487  -1.463  0.00  0.00    -0.191 NA
ATOM     26  C   LIG    1        5.337   0.988  -1.177  0.00  0.00    +0.102 C 
ENDBRANCH  18  26
ENDBRANCH   1  22
TORSDOF 2