REMARK  Name = BDB033825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.462  -0.234  -0.139  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -1.473  -1.124  -0.799  0.00  0.00    +0.201 A 
ATOM      3  O   LIG    1       -1.170  -1.973  -1.629  0.00  0.00    -0.286 OA
ATOM      4  C   LIG    1       -2.881  -0.950  -0.418  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -3.203   0.036   0.502  0.00  0.00    +0.184 A 
ATOM      6  C   LIG    1       -4.534   0.216   0.871  0.00  0.00    +0.202 A 
ATOM      7  C   LIG    1       -5.529  -0.591   0.323  0.00  0.00    +0.162 A 
ATOM      8  C   LIG    1       -5.214  -1.581  -0.597  0.00  0.00    +0.050 A 
ATOM      9  O   LIG    1       -2.267   0.853   1.068  0.00  0.00    -0.446 OA
ATOM     10  C   LIG    1       -3.881  -1.763  -0.972  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1       -0.926   0.697   0.727  0.00  0.00    +0.220 A 
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        3.090  -0.712  -0.377  0.00  0.00    -0.271 N 
ATOM     13  N   LIG    1        2.822  -0.748  -1.694  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1        1.495  -0.600  -1.752  0.00  0.00    +0.143 A 
ATOM     15  C   LIG    1        0.916  -0.434  -0.475  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        1.976  -0.546   0.399  0.00  0.00    +0.117 A 
BRANCH  12  17
ATOM     17  C   LIG    1        4.456  -0.864   0.086  0.00  0.00    +0.143 C 
BRANCH  17  19
ATOM     18  C   LIG    1        4.866   1.558   0.749  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1        5.310   0.387  -0.117  0.00  0.00    +0.020 C 
ENDBRANCH  17  19
ENDBRANCH  12  17
ENDBRANCH   1  15
BRANCH  11  20
ATOM     20  C   LIG    1       -0.055   1.718   1.408  0.00  0.00    +0.451 C 
ATOM     21  F   LIG    1        0.555   1.206   2.508  0.00  0.00    -0.163 F 
ATOM     22  F   LIG    1        0.911   2.235   0.609  0.00  0.00    -0.163 F 
ATOM     23  F   LIG    1       -0.786   2.783   1.843  0.00  0.00    -0.163 F 
ENDBRANCH  11  20
BRANCH   7  24
ATOM     24  O   LIG    1       -6.832  -0.413   0.687  0.00  0.00    -0.503 OA
ATOM     25  H   LIG    1       -6.820   0.324   1.330  0.00  0.00    +0.292 HD
ENDBRANCH   7  24
BRANCH   6  26
ATOM     26  O   LIG    1       -4.918   1.177   1.770  0.00  0.00    -0.501 OA
ATOM     27  H   LIG    1       -4.115   1.661   2.039  0.00  0.00    +0.292 HD
ENDBRANCH   6  26
TORSDOF 6