REMARK  Name = BDB026375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.685  -2.936  -0.449  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1        2.737  -1.706  -0.409  0.00  0.00    +0.233 C 
ATOM      3  N   LIG    1        1.597  -0.946  -0.457  0.00  0.00    -0.299 N 
ATOM      4  C   LIG    1        0.217  -1.387  -0.271  0.00  0.00    +0.119 C 
ATOM      5  C   LIG    1       -0.118   0.069  -0.231  0.00  0.00    +0.033 C 
ATOM      6  C   LIG    1       -1.080   0.596   0.780  0.00  0.00    +0.116 C 
ATOM      7  N   LIG    1       -1.538   1.510  -0.259  0.00  0.00    -0.328 N 
ATOM      8  C   LIG    1       -0.971   0.664  -1.304  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1        1.330   0.456  -0.154  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -2.881   1.990  -0.331  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -4.045   1.171  -0.373  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -5.274   1.820  -0.433  0.00  0.00    +0.110 A 
ATOM     13  S   LIG    1       -6.597   0.748  -0.465  0.00  0.00    -0.073 S 
ATOM     14  C   LIG    1       -5.579  -0.623  -0.413  0.00  0.00    +0.001 A 
ATOM     15  N   LIG    1       -5.486   3.149  -0.467  0.00  0.00    -0.247 NA
ATOM     16  C   LIG    1       -4.361   3.886  -0.441  0.00  0.00    +0.123 A 
ATOM     17  C   LIG    1       -4.248  -0.255  -0.376  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -3.069   3.388  -0.367  0.00  0.00    +0.057 A 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.909   4.336  -0.358  0.00  0.00    +0.375 C 
ATOM     20  F   LIG    1       -1.246   4.368  -1.548  0.00  0.00    -0.204 F 
ATOM     21  F   LIG    1       -2.278   5.629  -0.117  0.00  0.00    -0.204 F 
ENDBRANCH  18  19
BRANCH  14  22
ATOM     22  C   LIG    1       -6.166  -2.007  -0.423  0.00  0.00    +0.155 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -6.138  -2.673   0.941  0.00  0.00    +0.394 C 
ATOM     24  F   LIG    1       -6.850  -1.987   1.859  0.00  0.00    -0.170 F 
ATOM     25  F   LIG    1       -6.668  -3.917   0.864  0.00  0.00    -0.170 F 
ATOM     26  F   LIG    1       -4.874  -2.805   1.403  0.00  0.00    -0.170 F 
ENDBRANCH  22  23
ENDBRANCH  14  22
ENDBRANCH   7  10
BRANCH   2  27
ATOM     27  C   LIG    1        4.067  -0.925  -0.387  0.00  0.00    +0.144 C 
ATOM     28  C   LIG    1        5.300  -1.847  -0.399  0.00  0.00    +0.016 C 
ATOM     29  C   LIG    1        5.476  -2.144   1.088  0.00  0.00    +0.024 C 
ATOM     30  C   LIG    1        5.516  -0.671   1.457  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        6.673  -0.146   0.590  0.00  0.00    +0.019 C 
ATOM     32  C   LIG    1        6.543  -0.985  -0.690  0.00  0.00    +0.007 C 
ATOM     33  N   LIG    1        4.234  -0.181   0.901  0.00  0.00    -0.303 NA
ATOM     34  H   LIG    1        4.307   0.817   0.707  0.00  0.00    +0.123 HD
ENDBRANCH   2  27
TORSDOF 5