REMARK  Name = BDB048625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.487   1.737  -2.613  0.00  0.00    -0.486 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        4.951  -1.216  -0.760  0.00  0.00    -0.021 A 
ATOM      3  C   LIG    1        3.799  -0.346  -1.003  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1        3.301  -0.543  -2.301  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        2.192   0.175  -2.801  0.00  0.00    +0.061 A 
ATOM      6  C   LIG    1        1.547   1.123  -2.005  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        2.000   1.346  -0.718  0.00  0.00    +0.066 A 
ATOM      8  S   LIG    1        4.189  -1.732  -3.167  0.00  0.00    -0.096 S 
ATOM      9  C   LIG    1        3.100   0.626  -0.233  0.00  0.00    +0.053 A 
ATOM     10 CL   LIG    1        3.626   0.923   1.372  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        5.240  -1.995  -1.865  0.00  0.00    +0.050 A 
BRANCH   2  12
ATOM     12  C   LIG    1        5.771  -1.304   0.501  0.00  0.00    +0.156 C 
BRANCH  12  14
ATOM     13  O   LIG    1        7.277   0.442  -0.286  0.00  0.00    -0.251 OA
ATOM     14  C   LIG    1        6.759  -0.161   0.642  0.00  0.00    +0.309 C 
BRANCH  14  15
ATOM     15  O   LIG    1        7.086   0.104   1.931  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1        6.586  -0.409   2.592  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   2  12
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  C   LIG    1       -0.187   2.794  -1.913  0.00  0.00    +0.287 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.184   2.301  -0.919  0.00  0.00    +0.121 A 
ATOM     19  N   LIG    1       -1.339   2.924   0.256  0.00  0.00    -0.079 NA
ATOM     20  O   LIG    1       -2.320   2.217   0.927  0.00  0.00    -0.354 OA
ATOM     21  C   LIG    1       -2.754   1.175   0.159  0.00  0.00    +0.168 A 
ATOM     22  C   LIG    1       -2.059   1.194  -1.028  0.00  0.00    +0.079 A 
BRANCH  21  23
ATOM     23  C   LIG    1       -3.792   0.325   0.735  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -4.270  -0.790   0.030  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.265  -1.613   0.572  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -5.812  -1.337   1.832  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1       -5.331  -0.230   2.544  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -4.336   0.590   2.000  0.00  0.00    +0.012 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -6.867  -2.237   2.427  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1       -6.329  -3.263   3.141  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -7.667  -2.814   1.487  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -7.707  -1.587   3.280  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8