REMARK  Name = BDB050806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.127  -0.355  -0.560  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        3.075  -0.645   0.349  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        1.905   0.122   0.395  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        1.007  -0.347   1.418  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1        1.487  -1.437   2.099  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        1.756   1.195  -0.519  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1        2.788   1.507  -1.405  0.00  0.00    +0.046 A 
ATOM      8  S   LIG    1        3.013  -1.918   1.523  0.00  0.00    -0.096 S 
ATOM      9  C   LIG    1        3.945   0.740  -1.428  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1        5.429  -1.129  -0.637  0.00  0.00    +0.079 C 
BRANCH  10  11
ATOM     11  C   LIG    1        6.629  -0.371  -0.040  0.00  0.00    +0.230 C 
BRANCH  11  13
ATOM     12  C   LIG    1        8.953  -0.060  -0.476  0.00  0.00    +0.195 C 
ATOM     13  O   LIG    1        7.782  -0.816  -0.765  0.00  0.00    -0.368 OA
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1        6.696  -0.619   1.480  0.00  0.00    +0.334 C 
ATOM     15  O   LIG    1        7.479  -1.380   2.030  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1        5.821   0.129   2.196  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1        5.210   0.677   1.667  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  18
ATOM     18  O   LIG    1        0.605   1.938  -0.457  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -0.077   2.143  -1.704  0.00  0.00    +0.235 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.600   0.857  -2.352  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.647   0.177  -1.544  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1       -1.686  -1.113  -1.056  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1       -0.793  -2.283  -1.111  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1       -2.864  -1.270  -0.384  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1       -3.494  -0.059  -0.506  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1       -2.810   0.831  -1.201  0.00  0.00    -0.214 NA
BRANCH  25  27
ATOM     27  C   LIG    1       -4.803   0.074   0.129  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1       -5.404  -0.989   0.820  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1       -6.655  -0.837   1.436  0.00  0.00    -0.049 A 
ATOM     30  C   LIG    1       -7.293  -1.994   2.147  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1       -7.324   0.388   1.332  0.00  0.00    +0.006 A 
ATOM     32  C   LIG    1       -6.752   1.459   0.636  0.00  0.00    -0.049 A 
ATOM     33  C   LIG    1       -7.455   2.782   0.566  0.00  0.00    +0.044 C 
ATOM     34  C   LIG    1       -5.487   1.297   0.053  0.00  0.00    +0.016 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 10