REMARK  Name = BDB063579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.276  -1.853  -1.045  0.00  0.00    -0.220 N 
ATOM      2  C   LIG    1        2.276  -1.360  -0.249  0.00  0.00    +0.316 C 
ATOM      3  O   LIG    1        2.287  -1.452   0.970  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        3.241  -0.767  -1.081  0.00  0.00    -0.246 N 
ATOM      5  C   LIG    1        2.845  -0.879  -2.468  0.00  0.00    +0.211 C 
ATOM      6  C   LIG    1        1.534  -1.620  -2.359  0.00  0.00    +0.241 C 
ATOM      7  O   LIG    1        0.842  -1.949  -3.313  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        4.446  -0.128  -0.686  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        5.310   0.419  -1.646  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        6.502   1.053  -1.272  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        6.866   1.159   0.070  0.00  0.00    +0.130 A 
ATOM     12  C   LIG    1        6.019   0.623   1.033  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        4.824  -0.013   0.657  0.00  0.00    +0.027 A 
BRANCH  11  14
ATOM     14  O   LIG    1        8.050   1.800   0.288  0.00  0.00    -0.406 OA
BRANCH  14  15
ATOM     15  C   LIG    1        8.485   1.946   1.629  0.00  0.00    +0.575 C 
ATOM     16  F   LIG    1        8.670   0.744   2.216  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        7.604   2.671   2.351  0.00  0.00    -0.133 F 
ATOM     18  F   LIG    1        9.668   2.600   1.631  0.00  0.00    -0.133 F 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   4   8
BRANCH   1  19
ATOM     19  C   LIG    1        0.084  -2.499  -0.547  0.00  0.00    +0.153 C 
BRANCH  19  26
ATOM     20  C   LIG    1       -3.878   0.052  -2.283  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1       -2.959  -0.255  -1.136  0.00  0.00    -0.008 A 
ATOM     22  C   LIG    1       -3.094   0.352   0.124  0.00  0.00    +0.128 A 
ATOM     23  C   LIG    1       -2.138   0.127   1.128  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1       -2.168   0.842   2.448  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1       -1.127  -0.822   0.906  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -1.029  -1.504  -0.312  0.00  0.00    -0.029 A 
ATOM     27  C   LIG    1       -1.938  -1.199  -1.331  0.00  0.00    +0.012 A 
BRANCH  22  28
ATOM     28  O   LIG    1       -4.105   1.251   0.347  0.00  0.00    -0.475 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -5.346   0.685   0.806  0.00  0.00    +0.200 C 
ATOM     30  C   LIG    1       -5.646   1.307   2.184  0.00  0.00    +0.067 C 
ATOM     31  C   LIG    1       -6.440   1.208  -0.146  0.00  0.00    +0.067 C 
BRANCH  29  32
ATOM     32  C   LIG    1       -5.505  -0.857   0.900  0.00  0.00    +0.348 C 
ATOM     33  O   LIG    1       -6.025  -1.590   0.071  0.00  0.00    -0.247 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -4.983  -1.398   2.023  0.00  0.00    -0.478 OA
ATOM     35  H   LIG    1       -5.093  -2.362   1.891  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  29  32
ENDBRANCH  28  29
ENDBRANCH  22  28
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 9