REMARK  Name = BDB064495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.431  -3.110  -2.276  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -2.949  -0.963   1.528  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -2.472  -0.890   0.111  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1       -2.665   0.249  -0.688  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -2.272   0.246  -2.036  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1       -2.543   1.399  -2.960  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -1.548  -0.853  -2.534  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.263  -1.964  -1.729  0.00  0.00    -0.033 A 
ATOM      9  C   LIG    1       -1.764  -1.984  -0.420  0.00  0.00    +0.012 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -3.321   1.343  -0.191  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -2.515   2.300   0.521  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -3.204   2.492   1.886  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -2.660   3.636  -0.239  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -0.975   2.094   0.681  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -0.175   1.862  -0.220  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -0.515   2.273   1.944  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        0.461   2.164   1.881  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1        1.019  -3.050  -2.039  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        1.414  -3.358  -0.654  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        2.806  -2.806  -0.262  0.00  0.00    +0.120 C 
ATOM     21  N   LIG    1        2.839  -1.329  -0.384  0.00  0.00    -0.325 N 
ATOM     22  C   LIG    1        1.999  -0.780  -1.479  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1        1.688  -1.845  -2.555  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1        3.112  -0.532   0.720  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1        3.865  -0.930   1.816  0.00  0.00    +0.137 A 
ATOM     26  N   LIG    1        4.123  -0.188   2.925  0.00  0.00    -0.231 NA
ATOM     27  C   LIG    1        3.598   1.058   2.965  0.00  0.00    +0.234 A 
ATOM     28  N   LIG    1        2.863   1.578   1.948  0.00  0.00    -0.231 NA
ATOM     29  C   LIG    1        2.688   0.784   0.860  0.00  0.00    +0.137 A 
BRANCH  27  30
ATOM     30  C   LIG    1        3.867   1.937   4.194  0.00  0.00    +0.452 C 
ATOM     31  F   LIG    1        4.780   2.927   3.952  0.00  0.00    -0.163 F 
ATOM     32  F   LIG    1        2.744   2.574   4.644  0.00  0.00    -0.163 F 
ATOM     33  F   LIG    1        4.346   1.256   5.279  0.00  0.00    -0.163 F 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 8