REMARK  Name = BDB013231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.353   0.238   0.338  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        0.923  -0.866  -0.298  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        2.264  -1.165  -0.241  0.00  0.00    +0.174 A 
ATOM      4  N   LIG    1        2.486  -2.249  -0.959  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        1.281  -2.693  -1.454  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.094  -0.302   0.532  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        2.454   0.728   1.137  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        0.353  -1.864  -1.032  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        1.102   1.017   1.068  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.567  -0.449   0.718  0.00  0.00    +0.076 A 
ATOM     11  N   LIG    1        5.228   0.624   1.230  0.00  0.00    -0.255 NA
ATOM     12  C   LIG    1        6.565   0.527   1.405  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1        7.301  -0.601   1.097  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        6.625  -1.695   0.579  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        5.246  -1.621   0.387  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   1  16
ATOM     16  N   LIG    1       -0.995   0.505   0.232  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.209   1.212   0.938  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.524   0.994  -1.042  0.00  0.00    +0.143 C 
BRANCH  18  21
ATOM     19  F   LIG    1       -2.551   3.596  -1.455  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -3.430   2.642  -1.115  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1       -2.980   1.331  -0.900  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -3.946   0.387  -0.563  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.805  -1.049  -0.219  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.276  -1.465  -0.267  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.102  -0.295  -0.076  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.283   0.744  -0.431  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -5.724   2.038  -0.625  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -4.778   2.999  -0.979  0.00  0.00    +0.042 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4