REMARK  Name = BDB061846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.511  -1.115   0.119  0.00  0.00    -0.019 A 
ATOM      2  C   LIG    1        0.987  -0.270   1.146  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1        2.208   0.411   0.965  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1        2.954   0.276  -0.215  0.00  0.00    -0.026 A 
ATOM      5  C   LIG    1        2.467  -0.557  -1.227  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.260  -1.238  -1.063  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.210  -0.071   2.430  0.00  0.00    +0.418 C 
ATOM      8  F   LIG    1       -1.041   0.423   2.196  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1        0.791   0.811   3.291  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1        0.037  -1.221   3.133  0.00  0.00    -0.166 F 
ENDBRANCH   2   7
BRANCH   1  11
ATOM     11  C   LIG    1       -0.786  -1.884   0.232  0.00  0.00    +0.140 C 
BRANCH  11  14
ATOM     12  O   LIG    1       -3.303  -2.728  -0.625  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -3.144  -1.549  -0.329  0.00  0.00    +0.244 C 
ATOM     14  N   LIG    1       -1.925  -1.017   0.040  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -1.943  -0.152   0.567  0.00  0.00    +0.149 HD
BRANCH  13  16
ATOM     16  C   LIG    1       -4.303  -0.612  -0.315  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -5.582  -1.152  -0.107  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -6.698  -0.294  -0.083  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -6.501   1.073  -0.280  0.00  0.00    +0.046 A 
ATOM     20  N   LIG    1       -7.739   1.673  -0.211  0.00  0.00    -0.361 N 
ATOM     21  H   LIG    1       -7.903   2.665  -0.320  0.00  0.00    +0.165 HD
ATOM     22  C   LIG    1       -8.708   0.735   0.023  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1       -5.238   1.631  -0.506  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1       -8.094  -0.494   0.105  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1       -4.140   0.763  -0.524  0.00  0.00    +0.015 A 
ENDBRANCH  13  16
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   4  26
ATOM     26  C   LIG    1        4.263   1.001  -0.385  0.00  0.00    +0.201 C 
BRANCH  26  27
ATOM     27  S   LIG    1        5.589   0.000   0.277  0.00  0.00    -0.024 S 
ATOM     28  O   LIG    1        5.763  -1.179  -0.550  0.00  0.00    -0.174 OA
ATOM     29  O   LIG    1        5.446  -0.090   1.718  0.00  0.00    -0.174 OA
BRANCH  27  30
ATOM     30  C   LIG    1        7.046   1.072   0.023  0.00  0.00    +0.131 C 
ATOM     31  C   LIG    1        7.740   0.910  -1.302  0.00  0.00    +0.028 C 
ATOM     32  C   LIG    1        8.347   0.319  -0.056  0.00  0.00    +0.028 C 
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 7