REMARK  Name = BDB051423
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.137   2.200   0.481  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        1.117   2.551  -0.421  0.00  0.00    +0.128 A 
ATOM      3  C   LIG    1        1.390   3.384  -1.509  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        2.692   3.839  -1.725  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        3.709   3.472  -0.844  0.00  0.00    +0.019 A 
ATOM      6 BR   LIG    1        5.470   4.097  -1.138  0.00  0.00    -0.050 Br
ATOM      7  C   LIG    1        3.439   2.662   0.260  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  11
ATOM      8  O   LIG    1        2.053  -0.561  -0.662  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        1.681  -0.885   0.455  0.00  0.00    +0.277 C 
ATOM     10  C   LIG    1        1.635   0.047   1.634  0.00  0.00    +0.081 C 
ATOM     11  C   LIG    1        1.861   1.368   1.658  0.00  0.00    +0.032 C 
ATOM     12  S   LIG    1        1.174  -0.845   3.040  0.00  0.00    -0.029 S 
ATOM     13  C   LIG    1        0.963  -2.241   2.040  0.00  0.00    +0.247 C 
ATOM     14  N   LIG    1        1.253  -2.153   0.793  0.00  0.00    -0.135 NA
BRANCH  13  15
ATOM     15  O   LIG    1        0.493  -3.379   2.573  0.00  0.00    -0.489 OA
ATOM     16  H   LIG    1        0.305  -3.245   3.515  0.00  0.00    +0.294 HD
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   2  17
ATOM     17  O   LIG    1       -0.158   2.118  -0.159  0.00  0.00    -0.487 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -0.756   1.407  -1.252  0.00  0.00    +0.264 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.392   0.135  -0.730  0.00  0.00    -0.009 A 
ATOM     20  C   LIG    1       -2.040   0.097   0.514  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -2.600  -1.093   1.005  0.00  0.00    +0.056 A 
ATOM     22  C   LIG    1       -2.517  -2.256   0.224  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -1.888  -2.241  -1.031  0.00  0.00    +0.056 A 
ATOM     24  C   LIG    1       -1.341  -1.037  -1.501  0.00  0.00    +0.019 A 
BRANCH  21  25
ATOM     25  C   LIG    1       -3.225  -1.142   2.378  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1       -4.303  -1.970   2.445  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -3.655   0.070   2.823  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -2.346  -1.595   3.317  0.00  0.00    -0.166 F 
ENDBRANCH  21  25
BRANCH  23  29
ATOM     29  C   LIG    1       -1.822  -3.493  -1.875  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1       -2.889  -3.592  -2.716  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -0.717  -3.556  -2.667  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -1.825  -4.638  -1.138  0.00  0.00    -0.166 F 
ENDBRANCH  23  29
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 7