REMARK  Name = BDB050705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.661   1.966   0.460  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -3.580   3.511   0.266  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -2.668   3.021   0.912  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -2.486   3.397   2.198  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -3.204   4.047   2.354  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1       -2.005   1.496  -0.855  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1       -2.734   0.340  -0.810  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -2.118  -0.881  -0.535  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -2.879  -2.051  -0.533  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -4.243  -1.990  -0.822  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1       -5.181  -3.433  -0.819  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1       -4.851  -0.770  -1.120  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -4.090   0.400  -1.123  0.00  0.00    +0.047 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  C   LIG    1       -0.269   2.609   0.388  0.00  0.00    +0.091 C 
BRANCH  14  15
ATOM     15  C   LIG    1        0.830   1.573   0.311  0.00  0.00    -0.043 A 
ATOM     16  C   LIG    1        1.280   1.105  -0.928  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        2.275   0.125  -0.998  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        2.842  -0.408   0.168  0.00  0.00    -0.011 A 
ATOM     19  C   LIG    1        2.381   0.060   1.407  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.386   1.040   1.480  0.00  0.00    +0.004 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.877  -1.449   0.116  0.00  0.00    +0.019 A 
ATOM     22  S   LIG    1        5.208  -1.306  -0.961  0.00  0.00    -0.097 S 
ATOM     23  C   LIG    1        5.892  -2.778  -0.428  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        5.136  -3.373   0.555  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        3.977  -2.604   0.872  0.00  0.00    +0.016 A 
ENDBRANCH  18  21
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 7