REMARK  Name = BDB002287
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.241   2.922   2.236  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -0.588   1.826   2.670  0.00  0.00    +0.227 C 
ATOM      3  N   LIG    1       -1.310   0.876   1.969  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -1.606   0.067   2.504  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.580   0.840   0.588  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -2.243  -0.293   0.102  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -2.497  -0.443  -1.266  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -2.090   0.542  -2.174  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1       -1.441   1.683  -1.681  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -1.187   1.829  -0.312  0.00  0.00    +0.024 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -2.320   0.391  -3.655  0.00  0.00    +0.417 C 
ATOM     12  F   LIG    1       -2.963  -0.763  -3.994  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1       -1.153   0.382  -4.359  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -3.066   1.402  -4.178  0.00  0.00    -0.166 F 
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -0.295   1.463   4.126  0.00  0.00    +0.172 C 
BRANCH  15  16
ATOM     16  S   LIG    1       -0.293  -0.326   4.467  0.00  0.00    -0.088 S 
BRANCH  16  17
ATOM     17  C   LIG    1        0.990  -0.795   3.396  0.00  0.00    +0.151 C 
ATOM     18  S   LIG    1        0.742  -2.200   2.402  0.00  0.00    -0.067 S 
ATOM     19  C   LIG    1        2.286  -1.786   1.526  0.00  0.00    +0.201 C 
ATOM     20  N   LIG    1        2.907  -0.720   2.338  0.00  0.00    -0.248 N 
ATOM     21  H   LIG    1        3.275  -0.009   1.690  0.00  0.00    +0.170 HD
ATOM     22  N   LIG    1        2.094  -0.135   3.275  0.00  0.00    -0.172 NA
BRANCH  19  23
ATOM     23  C   LIG    1        2.039  -1.364   0.082  0.00  0.00    +0.073 A 
ATOM     24  N   LIG    1        2.324  -0.076  -0.259  0.00  0.00    -0.257 NA
ATOM     25  C   LIG    1        2.115   0.294  -1.541  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1        1.653  -0.565  -2.525  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        1.381  -1.880  -2.172  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        1.576  -2.289  -0.855  0.00  0.00    +0.026 A 
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 6