REMARK  Name = BDB049583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.826   0.310   0.814  0.00  0.00    +0.044 A 
ATOM      2  N   LIG    1       -0.511   0.605   1.156  0.00  0.00    -0.215 N 
ATOM      3  C   LIG    1       -0.123   1.831   0.630  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -1.243   2.352  -0.021  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -1.157   3.609  -0.654  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1        0.048   4.333  -0.627  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        1.159   3.783   0.019  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        1.094   2.538   0.654  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -2.293   1.408   0.110  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        0.147   5.668  -1.323  0.00  0.00    +0.417 C 
ATOM     11  F   LIG    1        1.041   6.513  -0.737  0.00  0.00    -0.166 F 
ATOM     12  F   LIG    1       -1.036   6.344  -1.356  0.00  0.00    -0.166 F 
ATOM     13  F   LIG    1        0.543   5.546  -2.621  0.00  0.00    -0.166 F 
ENDBRANCH   6  10
BRANCH   2  14
ATOM     14  S   LIG    1        0.601  -0.456   1.931  0.00  0.00    +0.085 S 
ATOM     15  O   LIG    1       -0.144  -1.579   2.464  0.00  0.00    -0.148 OA
ATOM     16  O   LIG    1        1.405   0.389   2.795  0.00  0.00    -0.148 OA
BRANCH  14  17
ATOM     17  C   LIG    1        1.618  -1.059   0.610  0.00  0.00    +0.114 A 
ATOM     18  C   LIG    1        3.006  -0.907   0.689  0.00  0.00    +0.075 A 
ATOM     19  C   LIG    1        3.823  -1.368  -0.347  0.00  0.00    +0.132 A 
ATOM     20  C   LIG    1        3.237  -1.984  -1.455  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        1.849  -2.144  -1.524  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        1.034  -1.686  -0.491  0.00  0.00    +0.029 A 
BRANCH  19  23
ATOM     23  O   LIG    1        5.157  -1.153  -0.148  0.00  0.00    -0.406 OA
BRANCH  23  24
ATOM     24  C   LIG    1        6.058  -1.607  -1.145  0.00  0.00    +0.575 C 
ATOM     25  F   LIG    1        7.318  -1.312  -0.757  0.00  0.00    -0.133 F 
ATOM     26  F   LIG    1        5.970  -2.945  -1.308  0.00  0.00    -0.133 F 
ATOM     27  F   LIG    1        5.826  -0.993  -2.324  0.00  0.00    -0.133 F 
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH  14  17
ENDBRANCH   2  14
BRANCH   1  28
ATOM     28  C   LIG    1       -2.541  -0.960   1.184  0.00  0.00    +0.056 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.944  -1.084   0.576  0.00  0.00    +0.017 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.604  -2.422   0.914  0.00  0.00    +0.121 C 
BRANCH  30  32
ATOM     31  O   LIG    1       -3.133  -3.527  -0.701  0.00  0.00    -0.251 OA
ATOM     32  C   LIG    1       -3.989  -3.576   0.166  0.00  0.00    +0.305 C 
BRANCH  32  33
ATOM     33  O   LIG    1       -4.511  -4.757   0.553  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -4.038  -5.423   0.011  0.00  0.00    +0.295 HD
ENDBRANCH  32  33
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 10