REMARK  Name = BDB042745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.784  -0.154  -0.292  0.00  0.00    +0.090 C 
ATOM      2  C   LIG    1        0.620  -0.689   0.115  0.00  0.00    +0.087 C 
ATOM      3  N   LIG    1        0.813  -2.052  -0.429  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        1.746  -2.427  -0.255  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -0.186  -2.978  -0.102  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.505  -2.589   0.139  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -2.500  -3.526   0.404  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -2.203  -4.888   0.405  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -0.904  -5.284   0.119  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -0.604  -6.588   0.092  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -3.864  -3.049   0.665  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1       -4.769  -3.831   0.928  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -4.049  -1.689   0.599  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -4.990  -1.339   0.757  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1       -3.098  -0.761   0.298  0.00  0.00    -0.175 NA
ATOM     16  C   LIG    1        0.095  -4.348  -0.148  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -1.879  -1.168   0.090  0.00  0.00    +0.080 A 
ENDROOT
BRANCH   2  18
ATOM     18  C   LIG    1        1.868   0.142  -0.339  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1        2.129   1.414   0.478  0.00  0.00    +0.011 C 
ATOM     20  C   LIG    1        3.514   2.012   0.190  0.00  0.00    +0.076 C 
ATOM     21  C   LIG    1        4.043   1.662  -1.195  0.00  0.00    +0.249 C 
ATOM     22  F   LIG    1        4.939   2.598  -1.588  0.00  0.00    -0.206 F 
ATOM     23  F   LIG    1        4.724   0.486  -1.129  0.00  0.00    -0.206 F 
ATOM     24  C   LIG    1        2.940   1.529  -2.228  0.00  0.00    +0.076 C 
ATOM     25  C   LIG    1        1.911   0.455  -1.851  0.00  0.00    +0.011 C 
ENDBRANCH   2  18
BRANCH   1  30
ATOM     26  C   LIG    1       -1.736   3.789   1.263  0.00  0.00    +0.087 A 
ATOM     27  C   LIG    1       -1.700   3.551  -0.108  0.00  0.00    +0.141 A 
ATOM     28  F   LIG    1       -1.958   4.539  -0.977  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1       -1.392   2.287  -0.608  0.00  0.00    +0.044 A 
ATOM     30  C   LIG    1       -1.103   1.229   0.268  0.00  0.00    -0.034 A 
ATOM     31  C   LIG    1       -1.151   1.469   1.652  0.00  0.00    +0.006 A 
ATOM     32  C   LIG    1       -1.462   2.740   2.146  0.00  0.00    +0.022 A 
BRANCH  26  34
ATOM     33  N   LIG    1       -2.295   6.138   2.201  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1       -2.051   5.091   1.762  0.00  0.00    +0.102 C 
ENDBRANCH  26  34
ENDBRANCH   1  30
TORSDOF 3