REMARK  Name = BDB046980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.276   1.561   0.254  0.00  0.00    +0.070 A 
ATOM      2  C   LIG    1       -1.159   1.552   0.299  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -1.594   0.221   0.183  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1       -2.969  -0.109   0.202  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.538  -1.478   0.110  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -2.815  -2.526  -0.386  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -3.365  -3.376  -0.457  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -1.524  -2.481  -1.027  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -0.437  -1.995  -0.086  0.00  0.00    +0.141 C 
ATOM     10  O   LIG    1       -4.696  -1.692   0.467  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -3.892   0.946   0.357  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -3.481   2.264   0.486  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.450  -0.549   0.083  0.00  0.00    -0.337 N 
ATOM     14  C   LIG    1       -2.124   2.574   0.462  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        0.686   0.236   0.160  0.00  0.00    +0.062 A 
ENDROOT
BRANCH  15  16
ATOM     16  C   LIG    1        2.046  -0.302   0.112  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        2.784  -0.248  -1.079  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        4.077  -0.772  -1.125  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        4.626  -1.343   0.018  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        5.866  -1.848  -0.030  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        3.910  -1.397   1.208  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        2.617  -0.875   1.257  0.00  0.00    +0.013 A 
ENDBRANCH  15  16
BRANCH   1  26
ATOM     23  N   LIG    1        0.739   3.836  -0.302  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        1.420   4.577  -0.395  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -0.012   3.788  -0.974  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1        1.178   2.705   0.327  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        2.282   2.687   0.859  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 2