REMARK  Name = BDB036260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.084  -2.217   0.274  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.286  -0.863  -0.125  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.289   0.039   0.190  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.728   1.277  -0.212  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1       -1.958   1.068  -0.802  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        0.903  -0.341   0.836  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        1.077  -1.581   1.206  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.284  -0.270  -0.753  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        0.077  -2.485   0.912  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -4.080  -2.139   0.919  0.00  0.00    +0.173 C 
ATOM     11  N   LIG    1       -3.331  -3.217   0.312  0.00  0.00    -0.267 N 
ATOM     12  C   LIG    1       -1.982  -3.300   0.036  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1       -1.793  -4.575  -0.465  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1       -3.063  -5.170  -0.464  0.00  0.00    +0.135 A 
ATOM     15  N   LIG    1       -4.002  -4.355   0.014  0.00  0.00    -0.179 NA
ENDBRANCH   1  12
BRANCH   6  16
ATOM     16  N   LIG    1        1.900   0.572   1.102  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        2.608   0.125   1.681  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.511   1.354   0.034  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.010   1.282   0.108  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.719   0.119  -0.184  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        4.234  -1.238  -0.540  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1        5.551  -1.856  -1.010  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1        6.649  -1.136  -0.404  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1        6.105   0.084  -0.096  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1        6.848   1.182   0.287  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        6.162   2.361   0.575  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1        4.764   2.402   0.482  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1        4.142   3.555   0.768  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
BRANCH   5  29
ATOM     29  C   LIG    1       -2.895   2.066  -1.408  0.00  0.00    +0.141 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -3.488   2.886  -0.344  0.00  0.00    -0.297 NA
ATOM     31  C   LIG    1       -4.569   2.138   0.358  0.00  0.00    +0.086 C 
ATOM     32  C   LIG    1       -5.392   3.439   0.324  0.00  0.00    +0.031 C 
ATOM     33  C   LIG    1       -4.534   3.780  -0.909  0.00  0.00    +0.086 C 
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 6