REMARK  Name = BDB015029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.927   0.271  -0.616  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.683   0.511  -0.007  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.485   0.441  -0.729  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        0.523   0.124  -2.085  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.747  -0.120  -2.710  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.936  -0.047  -1.982  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        6.300  -0.608   0.866  0.00  0.00    +0.106 A 
ATOM      8  C   LIG    1        5.115  -0.698   0.127  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        4.179   0.349   0.158  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1        4.471   1.474   0.952  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        5.653   1.555   1.695  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        6.572   0.511   1.656  0.00  0.00    +0.028 A 
BRANCH   7  13
ATOM     13  S   LIG    1        7.479  -1.932   0.821  0.00  0.00    +0.060 S 
ATOM     14  O   LIG    1        7.024  -2.927  -0.128  0.00  0.00    -0.153 OA
ATOM     15  O   LIG    1        7.779  -2.283   2.193  0.00  0.00    -0.153 OA
BRANCH  13  17
ATOM     16  C   LIG    1        8.706  -0.736  -1.260  0.00  0.00    +0.131 C 
ATOM     17  N   LIG    1        8.864  -1.183   0.142  0.00  0.00    -0.183 NA
ATOM     18  C   LIG    1       10.094  -1.988   0.318  0.00  0.00    +0.131 C 
ENDBRANCH  13  17
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  O   LIG    1       -0.638   0.699   0.006  0.00  0.00    -0.489 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -1.893   0.671  -0.688  0.00  0.00    +0.261 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.994   0.992   0.335  0.00  0.00    +0.166 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.979  -0.038   1.339  0.00  0.00    -0.387 OA
ATOM     23  H   LIG    1       -2.053  -0.095   1.642  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -4.376   1.051  -0.356  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.419   1.771   0.408  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -6.665   1.895  -0.375  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -7.513   0.641  -0.438  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.394  -0.361   0.543  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.214  -1.495   0.481  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.163  -1.625  -0.533  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -9.297  -0.625  -1.494  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.345  -0.247   1.622  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -8.479   0.504  -1.446  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.742   1.163   1.712  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 9