REMARK  Name = BDB039283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.129   4.695  -0.396  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.812   3.607   0.006  0.00  0.00    +0.113 A 
ATOM      3  S   LIG    1        0.971   2.179  -0.938  0.00  0.00    -0.050 S 
ATOM      4  C   LIG    1        2.097   1.601   0.230  0.00  0.00    +0.132 A 
ATOM      5  N   LIG    1        2.331   2.473   1.194  0.00  0.00    -0.141 NA
ATOM      6  N   LIG    1        1.593   3.631   1.066  0.00  0.00    -0.145 NA
BRANCH   4   7
ATOM      7  C   LIG    1        2.740   0.279   0.129  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        3.853  -0.001   0.941  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.501  -1.244   0.897  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        4.044  -2.241   0.040  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1        2.937  -1.978  -0.768  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        2.292  -0.735  -0.727  0.00  0.00    +0.014 A 
BRANCH  10  13
ATOM     13  O   LIG    1        4.568  -3.493  -0.107  0.00  0.00    -0.406 OA
BRANCH  13  14
ATOM     14  C   LIG    1        5.689  -3.837   0.687  0.00  0.00    +0.575 C 
ATOM     15  F   LIG    1        6.740  -3.031   0.426  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1        5.390  -3.778   2.003  0.00  0.00    -0.133 F 
ATOM     17  F   LIG    1        6.051  -5.107   0.398  0.00  0.00    -0.133 F 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  S   LIG    1       -1.588   4.816   0.704  0.00  0.00    -0.118 S 
BRANCH  18  24
ATOM     19  C   LIG    1       -4.001   1.137  -2.222  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -3.370   1.520  -0.912  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1       -3.212   0.575   0.114  0.00  0.00    +0.125 A 
ATOM     22  C   LIG    1       -2.648   0.953   1.334  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1       -2.176   2.254   1.513  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1       -2.273   3.187   0.479  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -2.888   2.824  -0.723  0.00  0.00    +0.021 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -3.684  -0.689  -0.125  0.00  0.00    -0.478 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.800  -1.752   0.227  0.00  0.00    +0.278 C 
ATOM     28  C   LIG    1       -3.566  -3.046  -0.042  0.00  0.00    +0.064 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -1.478  -1.806  -0.564  0.00  0.00    +0.346 C 
ATOM     30  O   LIG    1       -1.231  -1.185  -1.587  0.00  0.00    -0.247 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -0.560  -2.643  -0.015  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1       -0.838  -3.076   0.814  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 10