REMARK  Name = BDB050718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.513  -0.179   0.450  0.00  0.00    +0.160 A 
ATOM      2  C   LIG    1       -1.545  -0.429  -0.453  0.00  0.00    +0.094 A 
ATOM      3  C   LIG    1       -2.856  -0.565   0.013  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -3.137  -0.493   1.380  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.105  -0.248   2.283  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.798  -0.090   1.818  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.810  -0.017   0.125  0.00  0.00    -0.343 OA
BRANCH   7   9
ATOM      8  O   LIG    1        0.770   1.278  -2.021  0.00  0.00    -0.132 OA
ATOM      9  S   LIG    1        1.334   0.087  -1.415  0.00  0.00    +0.144 S 
ATOM     10  O   LIG    1        1.192  -1.210  -2.049  0.00  0.00    -0.132 OA
BRANCH   9  11
ATOM     11  C   LIG    1        3.012   0.393  -1.099  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1        3.807  -0.610  -0.694  0.00  0.00    +0.030 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.232  -0.442  -0.381  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        5.790  -1.208   0.651  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        7.146  -1.097   0.968  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        7.962  -0.228   0.247  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.423   0.526  -0.793  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        6.066   0.416  -1.110  0.00  0.00    +0.008 A 
ENDBRANCH  12  13
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  O   LIG    1       -3.827  -0.844  -0.923  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -4.981  -0.096  -0.871  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1       -4.973   1.299  -0.782  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -6.180   1.999  -0.769  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -7.389   1.308  -0.859  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.394  -0.082  -0.971  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.189  -0.785  -0.985  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6