  0.322733  0.536936 -0.779453
 -0.907584  0.409242 -0.093875
  0.268580  0.737715  0.619390
  0.000000  0.000000  0.850000
        10         1
N6
       -30       -26   2555501
    0.2476   -0.2146    3.9293    7.3495
   -1.0803    3.2795    0.4346
O2
       -24         3   3855501
    0.1981    0.0248    4.3440    7.7360
   -0.6740    3.6735    0.3290
O3
        32        11   3955501
   -0.2641    0.0908    3.3612    7.5012
   -1.6357    3.4198    0.5144
O1
       -17        15   3755501
    0.1403    0.1238    4.6070    4.8101
   -0.4108    0.7738    0.5528
S1
       -12        13   3555501
    0.0990    0.1073    6.1089    4.7122
    1.0656    0.6790    0.4952
Mn1
       -32       -23   3655501
    0.2641   -0.1898    5.1971    4.2408
    0.1706    0.2178    0.1670
N4
       -29        -4   2355501
    0.2393   -0.0330    4.9932    4.7087
   -0.0331    0.7047   -0.7742
N2
        77       -13   2155501
   -0.6354   -0.1073    4.5025    3.6532
   -0.5275   -0.3718   -0.2589
N3
       -19       -18   2255501
    0.1568   -0.1485    4.9026    3.5938
   -0.1188   -0.4139    0.9851
N1
        -8       -42   2055501
    0.0660   -0.3466    5.7704    3.5805
    0.7490   -0.4437   -0.1630
