REMARK  Name = BDB053905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.686  -3.196   2.340  0.00  0.00    +0.118 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.465  -2.739   1.503  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.228  -3.439   0.585  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.079  -4.866   0.194  0.00  0.00    +0.066 C 
ATOM      5  N   LIG    1        2.221  -2.695  -0.032  0.00  0.00    -0.244 NA
ATOM      6  C   LIG    1        2.214  -1.447   0.396  0.00  0.00    +0.109 A 
ATOM      7  S   LIG    1        1.041  -1.127   1.614  0.00  0.00    -0.071 S 
BRANCH   6   8
ATOM      8  C   LIG    1        3.145  -0.408  -0.087  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        2.932   0.968   0.099  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.846   1.913  -0.386  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        4.996   1.507  -1.075  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        5.213   0.137  -1.271  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1        4.298  -0.803  -0.785  0.00  0.00    +0.011 A 
BRANCH  11  14
ATOM     14  C   LIG    1        5.992   2.512  -1.600  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        7.215   2.387  -1.012  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        5.616   3.807  -1.405  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        6.207   2.385  -2.939  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  S   LIG    1       -2.207  -3.433   1.353  0.00  0.00    -0.120 S 
BRANCH  18  24
ATOM     19  C   LIG    1       -3.908   1.414   2.572  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -3.343   0.482   1.536  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -3.070   0.936   0.233  0.00  0.00    +0.128 A 
ATOM     22  C   LIG    1       -2.533   0.053  -0.707  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -2.288  -1.280  -0.365  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1       -2.557  -1.739   0.925  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -3.091  -0.858   1.869  0.00  0.00    +0.021 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -3.329   2.259  -0.005  0.00  0.00    -0.450 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.518   2.645  -1.362  0.00  0.00    +0.459 C 
ATOM     28  F   LIG    1       -2.288   2.711  -1.950  0.00  0.00    -0.188 F 
BRANCH  27  29
ATOM     29  C   LIG    1       -4.239   3.993  -1.419  0.00  0.00    +0.379 C 
ATOM     30  O   LIG    1       -3.929   4.967  -2.091  0.00  0.00    -0.244 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -5.364   4.044  -0.665  0.00  0.00    -0.476 OA
ATOM     32  H   LIG    1       -5.698   4.956  -0.798  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH   1  18
TORSDOF 9