REMARK  Name = BDB002280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.464  -1.980  -2.893  0.00  0.00    +0.123 A 
ATOM      2  C   LIG    1        0.104  -1.831  -2.636  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -0.321  -1.222  -1.447  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        0.621  -0.783  -0.506  0.00  0.00    +0.036 A 
ATOM      5  C   LIG    1        1.986  -0.904  -0.767  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        2.395  -1.512  -1.960  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.789  -1.090  -1.208  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -2.171   0.009  -0.459  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -1.447   0.670  -0.204  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -2.529  -1.927  -1.712  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -3.477   0.358  -0.055  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1       -3.625   1.554   0.660  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -4.888   1.987   1.103  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1       -6.009   1.192   0.835  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -5.869  -0.001   0.127  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -4.609  -0.415  -0.315  0.00  0.00    +0.023 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -5.024   3.267   1.888  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1       -4.121   4.217   1.515  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -6.248   3.850   1.760  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -4.837   3.078   3.223  0.00  0.00    -0.166 F 
ENDBRANCH  13  17
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   5  21
ATOM     21  N   LIG    1        2.998  -0.464   0.116  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        3.945  -0.667  -0.176  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        2.841   0.322   1.252  0.00  0.00    +0.256 C 
ATOM     24  O   LIG    1        1.767   0.814   1.590  0.00  0.00    -0.269 OA
BRANCH  23  25
ATOM     25  C   LIG    1        4.072   0.546   1.992  0.00  0.00    +0.095 A 
ATOM     26  S   LIG    1        4.176   1.838   3.121  0.00  0.00    -0.048 S 
ATOM     27  C   LIG    1        5.799   1.410   3.465  0.00  0.00    +0.156 A 
ATOM     28  N   LIG    1        6.254   0.363   2.824  0.00  0.00    -0.233 NA
ATOM     29  C   LIG    1        5.273  -0.136   1.989  0.00  0.00    +0.133 A 
BRANCH  27  30
ATOM     30  N   LIG    1        6.533   2.102   4.351  0.00  0.00    -0.338 N 
ATOM     31  H   LIG    1        6.033   2.624   5.061  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        7.348   1.613   4.705  0.00  0.00    +0.144 HD
ENDBRANCH  27  30
ENDBRANCH  23  25
ENDBRANCH   5  21
BRANCH   1  34
ATOM     33  C   LIG    1        1.111  -3.090  -4.967  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        2.014  -2.552  -4.007  0.00  0.00    -0.495 OA
ENDBRANCH   1  34
TORSDOF 7