REMARK  Name = BDB007908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.624  -1.506   0.976  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        0.565  -2.218   0.774  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        1.716  -1.562   0.326  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        1.696  -0.186   0.081  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        0.508   0.525   0.264  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.643  -0.129   0.711  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.874  -2.203   1.449  0.00  0.00    +0.267 C 
BRANCH   7   8
ATOM      8  O   LIG    1       -2.817  -2.184   0.375  0.00  0.00    -0.460 OA
BRANCH   8  10
ATOM      9  O   LIG    1       -4.345  -3.131   1.800  0.00  0.00    -0.250 OA
ATOM     10  C   LIG    1       -4.045  -2.664   0.709  0.00  0.00    +0.312 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.997  -2.536  -0.455  0.00  0.00    +0.155 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.434  -1.112  -0.693  0.00  0.00    -0.037 A 
ATOM     13  C   LIG    1       -4.749  -0.301  -1.606  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -5.137   1.025  -1.806  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -6.219   1.566  -1.097  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -6.893   0.757  -0.170  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -6.504  -0.569   0.030  0.00  0.00    +0.005 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -6.623   3.006  -1.294  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1       -5.973   3.848  -0.444  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -6.364   3.469  -2.549  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -7.953   3.222  -1.089  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  S   LIG    1        3.148   0.667  -0.501  0.00  0.00    -0.120 S 
BRANCH  22  23
ATOM     23  C   LIG    1        4.233   0.433   0.949  0.00  0.00    +0.110 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.573   1.105   0.760  0.00  0.00    -0.023 A 
ATOM     25  C   LIG    1        6.749   0.423   0.386  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1        7.965   1.125   0.290  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        8.019   2.497   0.530  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.861   3.183   0.875  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.652   2.495   0.990  0.00  0.00    +0.005 A 
BRANCH  25  30
ATOM     30  C   LIG    1        6.833  -1.030   0.099  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        7.799  -1.738   0.318  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        5.751  -1.514  -0.528  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        5.993  -2.440  -0.738  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 11