REMARK  Name = BDB041520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.293   1.982   1.417  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.277   1.767   2.229  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.172   1.721   0.116  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.576   1.564  -0.837  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.664   1.636  -0.024  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -2.110   0.873  -1.054  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1       -3.443   0.741  -1.203  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1       -4.378   1.345  -0.367  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1       -3.891   2.123   0.690  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.519   2.276   0.868  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -3.926  -0.039  -2.234  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1       -2.899  -0.594  -3.053  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1       -5.856   1.143  -0.552  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -6.339   0.042   0.268  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -6.720   0.267   1.545  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -7.116  -0.935   1.972  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -6.993  -1.925   0.980  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.490  -1.262  -0.114  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        1.905   2.061   1.825  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        1.955   2.013   3.272  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        2.487   3.181   1.116  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1        2.089  -0.673   1.606  0.00  0.00    +0.165 A 
ATOM     23  C   LIG    1        2.607   0.560   1.214  0.00  0.00    +0.153 A 
ATOM     24  C   LIG    1        3.698   0.642   0.341  0.00  0.00    +0.056 A 
ATOM     25  C   LIG    1        4.272  -0.531  -0.135  0.00  0.00    +0.049 A 
ATOM     26  N   LIG    1        3.793  -1.740   0.243  0.00  0.00    -0.256 NA
ATOM     27  C   LIG    1        2.729  -1.785   1.083  0.00  0.00    +0.158 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.461  -0.499  -1.104  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        6.654   0.225  -0.451  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1        5.061   0.228  -2.402  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        5.923  -1.923  -1.483  0.00  0.00    +0.017 C 
ENDBRANCH  25  28
BRANCH  22  33
ATOM     32  C   LIG    1        0.606  -1.964   2.944  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        1.002  -0.696   2.431  0.00  0.00    -0.492 OA
ENDBRANCH  22  33
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8