REMARK  Name = BDB033774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.289   1.118   0.085  0.00  0.00    +0.231 A 
ATOM      2  C   LIG    1       -1.055   2.373   0.582  0.00  0.00    +0.134 A 
ATOM      3  C   LIG    1        0.265   2.651   0.825  0.00  0.00    +0.132 A 
ATOM      4  N   LIG    1        1.266   1.776   0.607  0.00  0.00    -0.222 NA
ATOM      5  C   LIG    1        0.942   0.567   0.130  0.00  0.00    +0.223 A 
ATOM      6  N   LIG    1       -0.321   0.211  -0.143  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.139   3.350   0.832  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -2.830   3.685  -0.292  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -3.062   2.910   1.731  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -1.679   4.532   1.338  0.00  0.00    -0.166 F 
ENDBRANCH   2   7
BRANCH   5  11
ATOM     11  N   LIG    1        1.895  -0.413  -0.124  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        1.427  -1.247  -0.452  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1        3.278  -0.500   0.068  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        4.055   0.526   0.619  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        5.441   0.391   0.770  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        6.066  -0.782   0.350  0.00  0.00    +0.105 A 
ATOM     17  C   LIG    1        5.320  -1.824  -0.197  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        3.937  -1.674  -0.339  0.00  0.00    +0.025 A 
BRANCH  16  19
ATOM     19  S   LIG    1        7.819  -0.966   0.535  0.00  0.00    +0.056 S 
ATOM     20  O   LIG    1        8.124  -2.372   0.642  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1        8.286   0.008   1.495  0.00  0.00    -0.153 OA
BRANCH  19  22
ATOM     22  N   LIG    1        8.371  -0.427  -0.962  0.00  0.00    -0.204 NA
ATOM     23  H   LIG    1        7.622  -0.282  -1.638  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1        8.925   0.420  -0.822  0.00  0.00    +0.144 HD
ENDBRANCH  19  22
ENDBRANCH  16  19
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  25
ATOM     25  O   LIG    1       -2.599   0.775  -0.167  0.00  0.00    -0.470 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -4.298   0.846  -2.378  0.00  0.00    +0.011 C 
ATOM     27  C   LIG    1       -4.152  -0.453  -1.580  0.00  0.00    +0.029 C 
ATOM     28  C   LIG    1       -2.811  -0.501  -0.795  0.00  0.00    +0.206 C 
ATOM     29  C   LIG    1       -2.852  -1.623   0.262  0.00  0.00    +0.155 C 
ATOM     30  C   LIG    1       -3.980  -1.432   1.287  0.00  0.00    +0.035 C 
ATOM     31  C   LIG    1       -5.121  -0.537   0.796  0.00  0.00    +0.003 C 
ATOM     32  C   LIG    1       -5.393  -0.695  -0.694  0.00  0.00    +0.007 C 
BRANCH  29  33
ATOM     33  O   LIG    1       -2.977  -2.902  -0.371  0.00  0.00    -0.388 OA
ATOM     34  H   LIG    1       -3.909  -3.039  -0.613  0.00  0.00    +0.210 HD
ENDBRANCH  29  33
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 8