REMARK  Name = BDB035257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.777   3.901   0.724  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        0.666   2.885  -0.300  0.00  0.00    +0.073 S 
ATOM      3  O   LIG    1        1.239   3.069  -1.615  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        1.317   1.373   0.379  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1        1.794   0.382  -0.488  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1        2.272  -0.775   0.087  0.00  0.00    +0.175 A 
ATOM      7  O   LIG    1        2.757  -1.852  -0.586  0.00  0.00    -0.395 OA
ATOM      8  C   LIG    1        3.088  -2.711   0.514  0.00  0.00    +0.589 C 
ATOM      9  O   LIG    1        2.808  -2.162   1.811  0.00  0.00    -0.395 OA
ATOM     10  F   LIG    1        2.399  -3.870   0.381  0.00  0.00    -0.125 F 
ATOM     11  F   LIG    1        4.409  -3.007   0.449  0.00  0.00    -0.125 F 
ATOM     12  C   LIG    1        2.300  -0.952   1.454  0.00  0.00    +0.173 A 
ATOM     13  C   LIG    1        1.859   0.021   2.326  0.00  0.00    +0.052 A 
ATOM     14  C   LIG    1        1.363   1.208   1.779  0.00  0.00    +0.032 A 
ENDBRANCH   2   4
BRANCH   2  15
ATOM     15  N   LIG    1       -0.980   2.551  -0.442  0.00  0.00    -0.214 N 
ATOM     16  H   LIG    1       -1.539   2.884   0.340  0.00  0.00    +0.174 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -1.408   1.422  -1.185  0.00  0.00    +0.072 A 
ATOM     18  C   LIG    1       -1.917   0.280  -0.544  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1       -2.294  -0.879  -1.246  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -2.743  -1.812  -0.258  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1       -2.626  -1.220   0.978  0.00  0.00    +0.103 A 
ATOM     22 CL   LIG    1       -3.323  -3.392  -0.506  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -2.142  -0.847  -2.652  0.00  0.00    +0.052 A 
ATOM     24 CL   LIG    1       -2.588  -2.232  -3.548  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -1.634   0.276  -3.307  0.00  0.00    +0.022 A 
ATOM     26  N   LIG    1       -2.128   0.037   0.796  0.00  0.00    -0.358 N 
ATOM     27  H   LIG    1       -1.933   0.694   1.539  0.00  0.00    +0.165 HD
ATOM     28  C   LIG    1       -1.265   1.398  -2.575  0.00  0.00    +0.028 A 
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 3