Bis(6-sulphanyloxy-1,3,5-triazin-2(1H)-one; (C3H2N3O2S)2  
Projection on (010) p2                                                                 
    0 -100    0    0    0
    0    0    0    0    0    0    0
  14.883  14.309  99.719  1.54183
  250
  2.0  0.0    27.143  2.0  2.0
  3.0  0.0     5.203  2.0  2.0
  5.0  0.0    12.987  2.0  2.0
  8.0  0.0    32.026  2.0  2.0
  9.0  0.0     4.351  2.0  2.0
 10.0  0.0     6.298  2.0  2.0
 11.0  0.0     2.427  2.0  2.0
 14.0  0.0     1.797  2.0  2.0
-14.0  1.0     5.767  2.0  2.0
-12.0  1.0     2.449  2.0  2.0
-11.0  1.0     5.146  2.0  2.0
-10.0  1.0     4.077  2.0  2.0
 -9.0  1.0    23.423  2.0  2.0
 -8.0  1.0    13.563  2.0  2.0
 -7.0  1.0    23.121  2.0  2.0
 -6.0  1.0    11.439  2.0  2.0
 -4.0  1.0    11.149  2.0  2.0
 -3.0  1.0    10.257  2.0  2.0
 -2.0  1.0     8.186  2.0  2.0
 -1.0  1.0    74.017  2.0  2.0
  2.0  1.0     6.084  2.0  2.0
  3.0  1.0    13.787  2.0  2.0
  4.0  1.0    13.300  2.0  2.0
  6.0  1.0    17.450  2.0  2.0
  7.0  1.0    29.903  2.0  2.0
  8.0  1.0     9.089  2.0  2.0
  9.0  1.0     6.644  2.0  2.0
 10.0  1.0     3.778  2.0  2.0
 12.0  1.0     4.957  2.0  2.0
 14.0  1.0     6.387  2.0  2.0
-15.0  2.0     3.945  2.0  2.0
-14.0  2.0     3.148  2.0  2.0
-13.0  2.0     3.314  2.0  2.0
-12.0  2.0     3.767  2.0  2.0
-11.0  2.0     6.190  2.0  2.0
-10.0  2.0     9.663  2.0  2.0
 -9.0  2.0     4.027  2.0  2.0
 -8.0  2.0    19.855  2.0  2.0
 -7.0  2.0    11.061  2.0  2.0
 -6.0  2.0     6.080  2.0  2.0
 -5.0  2.0     6.175  2.0  2.0
 -4.0  2.0     2.750  2.0  2.0
 -3.0  2.0    10.964  2.0  2.0
 -2.0  2.0    15.324  2.0  2.0
 -1.0  2.0     9.515  2.0  2.0
  0.0  2.0     9.686  2.0  2.0
  1.0  2.0     8.908  2.0  2.0
  2.0  2.0    31.892  2.0  2.0
  3.0  2.0     9.072  2.0  2.0
  4.0  2.0    18.964  2.0  2.0
  5.0  2.0     7.132  2.0  2.0
  6.0  2.0    18.422  2.0  2.0
  7.0  2.0    17.134  2.0  2.0
  8.0  2.0     6.733  2.0  2.0
  9.0  2.0     5.233  2.0  2.0
 10.0  2.0     7.473  2.0  2.0
 11.0  2.0     2.435  2.0  2.0
 12.0  2.0     3.000  2.0  2.0
 13.0  2.0     4.461  2.0  2.0
 14.0  2.0     5.771  2.0  2.0
-12.0  3.0     8.042  2.0  2.0
-10.0  3.0     3.448  2.0  2.0
 -9.0  3.0    13.929  2.0  2.0
 -8.0  3.0    12.195  2.0  2.0
 -7.0  3.0    12.258  2.0  2.0
 -6.0  3.0     2.638  2.0  2.0
 -5.0  3.0     9.240  2.0  2.0
 -4.0  3.0    23.845  2.0  2.0
 -3.0  3.0    11.919  2.0  2.0
 -2.0  3.0    29.006  2.0  2.0
 -1.0  3.0    18.024  2.0  2.0
  1.0  3.0    43.421  2.0  2.0
  2.0  3.0     2.076  2.0  2.0
  3.0  3.0    19.429  2.0  2.0
  5.0  3.0     7.626  2.0  2.0
  6.0  3.0    22.344  2.0  2.0
  7.0  3.0     7.659  2.0  2.0
  9.0  3.0    10.102  2.0  2.0
 11.0  3.0     8.667  2.0  2.0
-15.0  4.0     4.010  2.0  2.0
-14.0  4.0     3.510  2.0  2.0
-13.0  4.0     7.898  2.0  2.0
-11.0  4.0     6.240  2.0  2.0
-10.0  4.0     6.240  2.0  2.0
 -9.0  4.0    14.576  2.0  2.0
 -8.0  4.0    13.710  2.0  2.0
 -7.0  4.0     7.303  2.0  2.0
 -6.0  4.0    12.903  2.0  2.0
 -5.0  4.0    26.242  2.0  2.0
 -4.0  4.0    14.548  2.0  2.0
 -1.0  4.0    15.140  2.0  2.0
  0.0  4.0    42.216  2.0  2.0
  2.0  4.0    19.690  2.0  2.0
  3.0  4.0    15.874  2.0  2.0
  4.0  4.0     7.526  2.0  2.0
  5.0  4.0    17.673  2.0  2.0
  6.0  4.0     9.881  2.0  2.0
  7.0  4.0     2.924  2.0  2.0
  8.0  4.0     8.608  2.0  2.0
-14.0  5.0     5.605  2.0  2.0
-13.0  5.0    11.781  2.0  2.0
-12.0  5.0     5.059  2.0  2.0
-10.0  5.0    17.103  2.0  2.0
 -9.0  5.0    10.664  2.0  2.0
 -8.0  5.0     6.984  2.0  2.0
 -7.0  5.0    15.485  2.0  2.0
 -5.0  5.0    17.676  2.0  2.0
 -4.0  5.0    22.648  2.0  2.0
 -3.0  5.0    10.932  2.0  2.0
 -2.0  5.0    24.983  2.0  2.0
 -1.0  5.0    31.537  2.0  2.0
  1.0  5.0    14.502  2.0  2.0
  2.0  5.0    18.869  2.0  2.0
  3.0  5.0    17.379  2.0  2.0
  4.0  5.0     3.533  2.0  2.0
  5.0  5.0    12.563  2.0  2.0
  7.0  5.0     4.629  2.0  2.0
  8.0  5.0     5.555  2.0  2.0
  9.0  5.0    17.684  2.0  2.0
 10.0  5.0     3.132  2.0  2.0
 12.0  5.0     2.966  2.0  2.0
-14.0  6.0     8.876  2.0  2.0
-12.0  6.0     4.901  2.0  2.0
-11.0  6.0    17.660  2.0  2.0
-10.0  6.0     5.745  2.0  2.0
 -9.0  6.0     4.880  2.0  2.0
 -8.0  6.0    15.590  2.0  2.0
 -7.0  6.0    13.996  2.0  2.0
 -4.0  6.0    15.114  2.0  2.0
 -3.0  6.0    28.079  2.0  2.0
 -2.0  6.0    18.557  2.0  2.0
 -1.0  6.0    14.160  2.0  2.0
  0.0  6.0     4.538  2.0  2.0
  1.0  6.0    16.232  2.0  2.0
  2.0  6.0    27.106  2.0  2.0
  3.0  6.0    10.524  2.0  2.0
  4.0  6.0    13.755  2.0  2.0
  5.0  6.0     3.032  2.0  2.0
  6.0  6.0     1.934  2.0  2.0
  8.0  6.0    17.052  2.0  2.0
  9.0  6.0     3.108  2.0  2.0
 10.0  6.0    11.635  2.0  2.0
 11.0  6.0     7.903  2.0  2.0
-12.0  7.0    14.761  2.0  2.0
-10.0  7.0     3.116  2.0  2.0
 -9.0  7.0    12.546  2.0  2.0
 -8.0  7.0     8.672  2.0  2.0
 -5.0  7.0    11.494  2.0  2.0
 -4.0  7.0    25.051  2.0  2.0
 -3.0  7.0     8.831  2.0  2.0
 -2.0  7.0    18.460  2.0  2.0
 -1.0  7.0     3.724  2.0  2.0
  0.0  7.0    11.941  2.0  2.0
  1.0  7.0    28.452  2.0  2.0
  2.0  7.0    14.133  2.0  2.0
  3.0  7.0    11.602  2.0  2.0
  4.0  7.0     4.846  2.0  2.0
  5.0  7.0     2.627  2.0  2.0
  6.0  7.0    14.632  2.0  2.0
  9.0  7.0    13.729  2.0  2.0
 11.0  7.0     5.122  2.0  2.0
-15.0  8.0     2.650  2.0  2.0
-11.0  8.0     1.916  2.0  2.0
-10.0  8.0     8.012  2.0  2.0
 -9.0  8.0     6.500  2.0  2.0
 -7.0  8.0     2.893  2.0  2.0
 -6.0  8.0     3.450  2.0  2.0
 -4.0  8.0     4.424  2.0  2.0
 -3.0  8.0    16.012  2.0  2.0
 -2.0  8.0     6.301  2.0  2.0
 -1.0  8.0     9.218  2.0  2.0
  0.0  8.0    21.292  2.0  2.0
  1.0  8.0     6.134  2.0  2.0
  5.0  8.0    13.601  2.0  2.0
  6.0  8.0     8.665  2.0  2.0
  8.0  8.0    11.249  2.0  2.0
 10.0  8.0     4.656  2.0  2.0
-14.0  9.0     3.017  2.0  2.0
-11.0  9.0     4.232  2.0  2.0
 -9.0  9.0     4.303  2.0  2.0
 -7.0  9.0     4.155  2.0  2.0
 -6.0  9.0    10.089  2.0  2.0
 -5.0  9.0     4.063  2.0  2.0
 -4.0  9.0     9.926  2.0  2.0
 -3.0  9.0     5.124  2.0  2.0
 -2.0  9.0     8.207  2.0  2.0
 -1.0  9.0    10.623  2.0  2.0
  0.0  9.0     6.918  2.0  2.0
  2.0  9.0     2.032  2.0  2.0
  5.0  9.0     5.559  2.0  2.0
  7.0  9.0     6.007  2.0  2.0
  8.0  9.0     2.252  2.0  2.0
  9.0  9.0     3.129  2.0  2.0
-12.0 10.0     2.211  2.0  2.0
-11.0 10.0     6.124  2.0  2.0
-10.0 10.0     1.838  2.0  2.0
 -8.0 10.0     7.949  2.0  2.0
 -4.0 10.0     3.736  2.0  2.0
 -3.0 10.0     7.117  2.0  2.0
 -1.0 10.0    17.449  2.0  2.0
  0.0 10.0     4.090  2.0  2.0
  1.0 10.0     2.905  2.0  2.0
  3.0 10.0     3.661  2.0  2.0
  5.0 10.0     1.825  2.0  2.0
  7.0 10.0     8.959  2.0  2.0
-12.0 11.0     4.870  2.0  2.0
 -9.0 11.0     7.743  2.0  2.0
 -8.0 11.0     4.660  2.0  2.0
 -7.0 11.0     4.371  2.0  2.0
 -5.0 11.0     3.321  2.0  2.0
 -4.0 11.0     4.914  2.0  2.0
 -2.0 11.0    21.604  2.0  2.0
 -1.0 11.0     4.706  2.0  2.0
  0.0 11.0     8.469  2.0  2.0
  3.0 11.0     2.352  2.0  2.0
  4.0 11.0     2.317  2.0  2.0
  6.0 11.0    12.097  2.0  2.0
-13.0 12.0     2.769  2.0  2.0
-11.0 12.0     2.934  2.0  2.0
-10.0 12.0     5.354  2.0  2.0
 -9.0 12.0     5.884  2.0  2.0
 -8.0 12.0     2.524  2.0  2.0
 -7.0 12.0     2.307  2.0  2.0
 -6.0 12.0     3.158  2.0  2.0
 -4.0 12.0     3.018  2.0  2.0
 -3.0 12.0    19.253  2.0  2.0
 -2.0 12.0     2.968  2.0  2.0
 -1.0 12.0    12.602  2.0  2.0
  0.0 12.0     3.779  2.0  2.0
  7.0 12.0     2.328  2.0  2.0
-11.0 13.0     2.775  2.0  2.0
 -7.0 13.0     2.640  2.0  2.0
 -4.0 13.0    12.738  2.0  2.0
  2.0 13.0     2.449  2.0  2.0
  5.0 13.0     3.283  2.0  2.0
-11.0 14.0     5.353  2.0  2.0
 -8.0 14.0     1.918  2.0  2.0
 -6.0 14.0     2.419  2.0  2.0
 -5.0 14.0     5.376  2.0  2.0
 -3.0 14.0    10.609  2.0  2.0
  3.0 14.0     4.358  2.0  2.0
  4.0 14.0     3.603  2.0  2.0
 -7.0 15.0     3.434  2.0  2.0
 -2.0 15.0     3.913  2.0  2.0
  1.0 15.0     2.032  2.0  2.0
  2.0 15.0     2.152  2.0  2.0
 -8.0 16.0     2.760  2.0  2.0
 -7.0 16.0     2.711  2.0  2.0
 -3.0 16.0     3.399  2.0  2.0
 -4.0 17.0     2.161  2.0  2.0
    0
   50   50
p2
    0
    2
  0.0  1.0  0.0  1.0
  0.0 -1.0  0.0 -1.0
   5
C                                                                                                                                          
3.000000   2.310000  20.843900   1.020000  10.207500                                                                                       
1.588600   0.568700   0.865000  51.651200   0.215600                                                                                       
N                                                                                                                                             
3.000000  12.212600   0.005700   3.132200   9.893300                                                                                       
2.012500  28.997500   1.166300   0.582600 -11.529000  
O                                                                                                                                            
2.000000   3.048500  13.277100   2.286800   5.701100                                                                                       
1.546300   0.323900   0.867000  32.908900   0.250800                                                                                       
S
1.000000   6.905300   1.467900   5.203400  22.215100
1.437900   0.253600   1.586300  56.172000   0.866900                                                                                       
H                                                                                                                                             
2.000000   0.489918  20.659300   0.262003   7.740390                                                                                       
0.196767  49.551900   0.049879   2.201590   0.001305    
6.0	7.0	8.0	16.0	1.0
2
4.0
