REMARK  Name = BDB059649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.501  -0.477   0.013  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -2.953  -0.100   0.197  0.00  0.00    +0.279 A 
ATOM      3  O   LIG    1       -3.885  -0.893   0.176  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -3.186   1.273   0.403  0.00  0.00    -0.179 N 
ATOM      5  C   LIG    1       -2.202   2.242   0.443  0.00  0.00    +0.156 A 
ATOM      6  C   LIG    1       -2.837   3.439   0.661  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1       -4.202   3.111   0.742  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -0.920   1.853   0.273  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -0.138   2.510   0.289  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -4.429   1.802   0.587  0.00  0.00    -0.169 NA
ATOM     11  C   LIG    1       -0.588   0.525   0.064  0.00  0.00    +0.057 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        0.854   0.272  -0.102  0.00  0.00    -0.001 A 
ATOM     13  C   LIG    1        1.655  -0.009   1.011  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.027  -0.246   0.857  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        3.610  -0.200  -0.410  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1        2.808   0.086  -1.519  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        1.439   0.323  -1.370  0.00  0.00    +0.013 A 
BRANCH  15  18
ATOM     18  O   LIG    1        4.926  -0.409  -0.707  0.00  0.00    -0.406 OA
BRANCH  18  19
ATOM     19  C   LIG    1        5.807  -0.709   0.363  0.00  0.00    +0.575 C 
ATOM     20  F   LIG    1        5.442  -1.849   0.988  0.00  0.00    -0.133 F 
ATOM     21  F   LIG    1        5.849   0.302   1.257  0.00  0.00    -0.133 F 
ATOM     22  F   LIG    1        7.051  -0.882  -0.135  0.00  0.00    -0.133 F 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  11  12
BRANCH   1  24
ATOM     23  C   LIG    1       -1.802  -2.485  -1.512  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -1.188  -1.950  -0.215  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1       -1.571  -2.821   0.985  0.00  0.00    +0.012 C 
ENDBRANCH   1  24
BRANCH   6  26
ATOM     26  C   LIG    1       -2.240   4.723   0.779  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1       -1.741   5.766   0.873  0.00  0.00    -0.191 NA
ENDBRANCH   6  26
TORSDOF 5