REMARK  Name = BDB022164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.175   1.510  -0.251  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1       -1.225   0.489  -0.767  0.00  0.00    +0.083 C 
ATOM      3  C   LIG    1       -2.599   1.030  -0.565  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.852   0.718  -1.143  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -4.832   1.471  -0.621  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -4.210   2.258   0.281  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -4.991   3.200   1.044  0.00  0.00    +0.174 C 
ATOM      8  C   LIG    1       -4.159  -0.303  -2.175  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1       -2.866   2.033   0.335  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1       -1.937   2.626   1.151  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -2.199   3.216   1.932  0.00  0.00    +0.156 HD
ATOM     12  C   LIG    1       -0.612   2.260   1.039  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        0.200   2.605   1.902  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -1.195  -0.877  -0.088  0.00  0.00    -0.037 A 
ATOM     15  C   LIG    1       -1.450  -1.065   1.284  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1       -1.380  -2.337   1.856  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1       -1.047  -3.429   1.066  0.00  0.00    +0.123 A 
ATOM     18  F   LIG    1       -0.976  -4.647   1.619  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -0.780  -3.275  -0.287  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -0.852  -2.004  -0.861  0.00  0.00    +0.007 A 
ENDBRANCH   2  14
BRANCH   1  22
ATOM     21  C   LIG    1        1.907   0.468  -1.094  0.00  0.00    +0.245 C 
ATOM     22  N   LIG    1        1.163   0.955  -0.046  0.00  0.00    -0.299 N 
ATOM     23  H   LIG    1        1.622   1.202   0.826  0.00  0.00    +0.150 HD
ATOM     24  O   LIG    1        1.490   0.431  -2.246  0.00  0.00    -0.270 OA
BRANCH  21  28
ATOM     25  C   LIG    1        5.251  -1.526   2.112  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        4.912  -0.945   0.771  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1        3.607  -0.511   0.496  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        3.281  -0.000  -0.769  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        4.256   0.044  -1.772  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        5.552  -0.397  -1.507  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.877  -0.890  -0.242  0.00  0.00    +0.003 A 
ENDBRANCH  21  28
ENDBRANCH   1  22
TORSDOF 3