REMARK  Name = BDB051430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.276   0.457  -0.337  0.00  0.00    +0.191 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.638  -0.187  -0.578  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        3.841   0.488  -0.310  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        5.073  -0.135  -0.519  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        5.124  -1.444  -0.990  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        3.942  -2.133  -1.253  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        2.709  -1.511  -1.047  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1        1.957   2.493  -1.543  0.00  0.00    -0.249 OA
ATOM      9  C   LIG    1        1.076   1.810  -1.037  0.00  0.00    +0.323 C 
BRANCH   9  10
ATOM     10  O   LIG    1       -0.218   2.226  -1.082  0.00  0.00    -0.480 OA
ATOM     11  H   LIG    1       -0.842   1.628  -0.607  0.00  0.00    +0.295 HD
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  S   LIG    1        0.986   0.634   1.468  0.00  0.00    -0.079 S 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.740   0.391   1.566  0.00  0.00    +0.137 A 
ATOM     14  S   LIG    1       -1.519  -0.089   3.007  0.00  0.00    -0.061 S 
ATOM     15  C   LIG    1       -3.038  -0.051   2.197  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1       -2.835   0.340   0.870  0.00  0.00    +0.081 A 
ATOM     17  C   LIG    1       -3.947   0.444   0.011  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1       -5.220   0.153   0.506  0.00  0.00    +0.043 A 
ATOM     19  C   LIG    1       -5.406  -0.234   1.829  0.00  0.00    +0.021 A 
ATOM     20 CL   LIG    1       -6.581   0.277  -0.541  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -4.316  -0.343   2.699  0.00  0.00    +0.018 A 
ATOM     22  N   LIG    1       -1.513   0.596   0.521  0.00  0.00    -0.233 NA
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 5