REMARK  Name = BDB032647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.764  -1.828   1.609  0.00  0.00    -0.167 N 
ATOM      2  H   LIG    1       -0.455  -2.722   1.971  0.00  0.00    +0.178 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        1.936  -0.492  -0.205  0.00  0.00    +0.250 A 
ATOM      4  O   LIG    1        1.464  -1.459   0.648  0.00  0.00    -0.404 OA
ATOM      5  C   LIG    1        0.165  -1.077   0.822  0.00  0.00    +0.328 A 
ATOM      6  N   LIG    1       -0.150  -0.017   0.113  0.00  0.00    -0.091 NA
ATOM      7  N   LIG    1        0.999   0.372  -0.541  0.00  0.00    -0.106 NA
BRANCH   3   9
ATOM      8  C   LIG    1        3.904   0.266  -1.595  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1        3.345  -0.579  -0.603  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1        4.180  -1.530   0.022  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        5.529  -1.650  -0.316  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.073  -0.821  -1.285  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.270   0.128  -1.917  0.00  0.00    +0.006 A 
BRANCH   8  14
ATOM     14  C   LIG    1        3.062   1.314  -2.306  0.00  0.00    +0.195 C 
BRANCH  14  16
ATOM     15  C   LIG    1        3.003   2.986  -3.963  0.00  0.00    +0.194 C 
ATOM     16  O   LIG    1        3.802   2.004  -3.318  0.00  0.00    -0.378 OA
ENDBRANCH  14  16
ENDBRANCH   8  14
ENDBRANCH   3   9
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  S   LIG    1       -1.571  -0.913   2.760  0.00  0.00    +0.083 S 
ATOM     18  O   LIG    1       -2.021  -1.858   3.766  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -0.698   0.175   3.146  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.006  -0.336   1.904  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -3.343   1.021   1.874  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -4.486   1.446   1.185  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -5.276   0.529   0.496  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -4.946  -0.824   0.522  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -3.832  -1.260   1.248  0.00  0.00    +0.150 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -2.646   1.950   2.596  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -1.910   2.830   1.744  0.00  0.00    +0.277 C 
ENDBRANCH  21  26
BRANCH  25  28
ATOM     28  O   LIG    1       -3.532  -2.598   1.249  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -4.482  -3.337   2.022  0.00  0.00    +0.277 C 
ENDBRANCH  25  28
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 8