REMARK  Name = BDB045082
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.517  -2.833   0.382  0.00  0.00    -0.291 OA
ATOM      2  C   LIG    1       -1.303  -1.995  -0.059  0.00  0.00    +0.175 C 
ATOM      3  C   LIG    1       -1.100  -0.551   0.233  0.00  0.00    +0.026 C 
ATOM      4  C   LIG    1        0.156  -0.137   0.975  0.00  0.00    +0.091 C 
ATOM      5  C   LIG    1        0.128   1.328   1.316  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.933   2.178   0.919  0.00  0.00    +0.148 A 
ATOM      7  N   LIG    1       -1.966   1.673   0.217  0.00  0.00    -0.300 N 
ATOM      8  H   LIG    1       -2.708   2.299  -0.076  0.00  0.00    +0.153 HD
ATOM      9  N   LIG    1       -0.766   3.430   1.329  0.00  0.00    -0.158 NA
ATOM     10  N   LIG    1        0.405   3.390   1.991  0.00  0.00    -0.283 N 
ATOM     11  H   LIG    1        0.756   4.251   2.397  0.00  0.00    +0.188 HD
ATOM     12  C   LIG    1        0.974   2.148   2.032  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -2.071   0.326  -0.117  0.00  0.00    +0.031 C 
ATOM     14  C   LIG    1       -3.284  -0.108  -0.909  0.00  0.00    +0.132 C 
ATOM     15  N   LIG    1       -3.045  -1.318  -1.695  0.00  0.00    -0.304 NA
ATOM     16  H   LIG    1       -2.339  -1.108  -2.403  0.00  0.00    +0.123 HD
ATOM     17  C   LIG    1       -2.550  -2.404  -0.835  0.00  0.00    +0.161 C 
ENDROOT
BRANCH   4  18
ATOM     18  C   LIG    1        1.449  -0.343   0.203  0.00  0.00    -0.000 A 
ATOM     19  C   LIG    1        1.615   0.079  -1.123  0.00  0.00    +0.127 A 
ATOM     20  F   LIG    1        0.611   0.680  -1.777  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        2.815  -0.114  -1.805  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        3.881  -0.744  -1.168  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        3.741  -1.179   0.148  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        2.537  -0.982   0.829  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
TORSDOF 1