NIS2.TXT: NIS2N6C12H14  M.WT.=365.15  SHORT-NAME NIS2; P21 21 21         
ORIGIN ON 21 DOWN Z;  PLANE GROUP p2gg                                                                       
0  -100   0   0   0                                                                                                                          
0   0   0   0   0   0   0                                                                                                                 
17.45000  17.04000  90.00000 1.54183                                                                             
140                                                                                                                                         
   0.00   2.00 117.54   2.00   2.00                                                                                                           
   0.00   4.00 129.24   2.00   2.00                                                                                                           
   0.00   6.00  40.80   2.00   2.00                                                                                                           
   0.00   8.00  32.78   2.00   2.00                                                                                                           
   0.00  10.00  40.84   2.00   2.00                                                                                                           
   0.00  12.00  61.19   2.00   2.00                                                                                                           
   0.00  14.00  59.11   2.00   2.00                                                                                                           
   0.00  16.00  20.35   2.00   2.00                                                                                                           
   0.00  18.00  32.26   2.00   2.00                                                                                                           
   1.00   2.00  78.63   4.00   1.00                                                                                                           
   1.00   4.00  60.83   4.00   1.00                                                                                                           
   1.00   6.00  20.85   4.00   1.00                                                                                                           
   1.00   8.00  40.28   4.00   1.00                                                                                                           
   1.00  10.00  24.77   4.00   1.00                                                                                                           
   1.00  12.00  63.36   4.00   1.00                                                                                                           
   1.00  14.00  47.37   4.00   1.00                                                                                                           
   1.00  16.00  52.82   4.00   1.00                                                                                                           
   1.00  20.00  21.16   4.00   1.00                                                                                                           
   2.00   0.00 123.70   2.00   2.00                                                                                                           
   2.00   1.00  22.50   4.00   1.00                                                                                                           
   2.00   2.00  50.99   4.00   1.00                                                                                                           
   2.00   4.00  22.74   4.00   1.00                                                                                                           
   2.00   6.00  24.54   4.00   1.00                                                                                                           
   2.00   8.00  55.56   4.00   1.00                                                                                                           
   2.00  10.00  43.66   4.00   1.00                                                                                                           
   2.00  12.00  34.09   4.00   1.00                                                                                                           
   2.00  14.00  73.17   4.00   1.00                                                                                                           
   2.00  18.00  28.49   4.00   1.00                                                                                                           
   3.00   2.00  45.69   4.00   1.00                                                                                                           
   3.00   4.00  42.20   4.00   1.00                                                                                                           
   3.00  10.00  37.39   4.00   1.00                                                                                                           
   3.00  11.00  36.58   4.00   1.00                                                                                                           
   3.00  12.00  69.38   4.00   1.00                                                                                                           
   3.00  14.00  27.36   4.00   1.00                                                                                                           
   3.00  18.00  23.33   4.00   1.00                                                                                                           
   4.00   0.00  32.61   2.00   2.00                                                                                                           
   4.00   2.00  35.90   4.00   1.00                                                                                                           
   4.00   3.00  21.25   4.00   1.00                                                                                                           
   4.00   4.00  58.63   4.00   1.00                                                                                                           
   4.00   5.00  24.98   4.00   1.00                                                                                                           
   4.00   6.00  91.09   4.00   1.00                                                                                                           
   4.00   7.00  49.24   4.00   1.00                                                                                                           
   4.00   8.00  85.92   4.00   1.00                                                                                                           
   4.00  10.00  32.43   4.00   1.00                                                                                                           
   4.00  11.00  32.31   4.00   1.00                                                                                                           
   4.00  12.00  35.81   4.00   1.00                                                                                                           
   4.00  16.00  30.91   4.00   1.00                                                                                                           
   5.00   2.00  52.93   4.00   1.00                                                                                                           
   5.00   3.00  43.46   4.00   1.00                                                                                                           
   5.00   4.00 117.13   4.00   1.00                                                                                                           
   5.00   5.00  49.02   4.00   1.00                                                                                                           
   5.00   6.00  45.42   4.00   1.00                                                                                                           
   5.00   8.00  62.75   4.00   1.00                                                                                                           
   5.00   9.00  35.11   4.00   1.00                                                                                                           
   5.00  10.00  38.92   4.00   1.00                                                                                                           
   5.00  14.00  25.62   4.00   1.00                                                                                                           
   5.00  18.00  21.72   4.00   1.00                                                                                                           
   6.00   0.00  85.27   2.00   2.00                                                                                                           
   6.00   1.00  26.14   4.00   1.00                                                                                                           
   6.00   2.00  60.83   4.00   1.00                                                                                                           
   6.00   3.00  66.12   4.00   1.00                                                                                                           
   6.00   4.00  59.89   4.00   1.00                                                                                                           
   6.00   5.00  31.88   4.00   1.00                                                                                                           
   6.00   6.00 126.91   4.00   1.00                                                                                                           
   6.00   7.00  87.11   4.00   1.00                                                                                                           
   6.00   8.00  80.74   4.00   1.00                                                                                                           
   6.00  10.00  52.79   4.00   1.00                                                                                                           
   6.00  11.00  33.02   4.00   1.00                                                                                                           
   6.00  20.00  26.85   4.00   1.00                                                                                                           
   7.00   3.00  45.94   4.00   1.00                                                                                                           
   7.00   4.00  99.39   4.00   1.00                                                                                                           
   7.00   5.00  81.41   4.00   1.00                                                                                                           
   7.00   6.00  67.86   4.00   1.00                                                                                                           
   7.00   8.00  46.52   4.00   1.00                                                                                                           
   7.00   9.00  43.68   4.00   1.00                                                                                                           
   7.00  10.00  42.67   4.00   1.00                                                                                                           
   7.00  18.00  27.45   4.00   1.00                                                                                                           
   8.00   2.00  31.15   4.00   1.00                                                                                                           
   8.00   3.00  31.47   4.00   1.00                                                                                                           
   8.00   5.00  39.26   4.00   1.00                                                                                                           
   8.00   6.00  53.01   4.00   1.00                                                                                                           
   8.00   7.00  63.18   4.00   1.00                                                                                                           
   8.00   8.00  45.62   4.00   1.00                                                                                                           
   8.00   9.00  21.04   4.00   1.00                                                                                                           
   9.00   1.00  45.67   4.00   1.00                                                                                                           
   9.00   2.00  50.90   4.00   1.00                                                                                                           
   9.00   3.00  42.30   4.00   1.00                                                                                                           
   9.00   7.00  23.97   4.00   1.00                                                                                                           
   9.00   8.00  23.40   4.00   1.00                                                                                                           
   9.00   9.00  42.51   4.00   1.00                                                                                                           
   9.00  10.00  46.13   4.00   1.00                                                                                                           
   9.00  11.00  22.38   4.00   1.00                                                                                                           
  10.00   0.00  26.38   2.00   2.00                                                                                                           
  10.00   1.00  27.89   4.00   1.00                                                                                                           
  10.00   9.00  23.07   4.00   1.00                                                                                                           
  10.00  10.00  21.81   4.00   1.00                                                                                                           
  10.00  11.00  24.21   4.00   1.00                                                                                                           
  10.00  13.00  26.19   4.00   1.00                                                                                                           
  10.00  15.00  27.36   4.00   1.00                                                                                                           
  11.00   1.00  43.25   4.00   1.00                                                                                                           
  11.00   2.00  37.84   4.00   1.00                                                                                                           
  11.00   3.00  40.49   4.00   1.00                                                                                                           
  11.00  10.00  25.56   4.00   1.00                                                                                                           
  11.00  11.00  43.52   4.00   1.00                                                                                                           
  11.00  12.00  22.98   4.00   1.00                                                                                                           
  11.00  15.00  36.16   4.00   1.00                                                                                                           
  11.00  17.00  26.79   4.00   1.00                                                                                                           
  12.00   0.00  61.60   2.00   2.00                                                                                                           
  12.00   1.00 102.80   4.00   1.00                                                                                                           
  12.00   2.00  20.21   4.00   1.00                                                                                                           
  12.00   4.00  20.79   4.00   1.00                                                                                                           
  12.00   7.00  28.72   4.00   1.00                                                                                                           
  12.00   9.00  29.70   4.00   1.00                                                                                                           
  12.00  10.00  24.46   4.00   1.00                                                                                                           
  12.00  11.00  25.83   4.00   1.00                                                                                                           
  12.00  13.00  46.78   4.00   1.00                                                                                                           
  13.00   1.00  75.20   4.00   1.00                                                                                                           
  13.00   2.00  40.33   4.00   1.00                                                                                                           
  13.00   3.00  77.97   4.00   1.00                                                                                                           
  13.00  11.00  30.24   4.00   1.00                                                                                                           
  13.00  15.00  32.43   4.00   1.00                                                                                                           
  14.00   0.00  20.64   2.00   2.00                                                                                                           
  14.00   1.00  52.21   4.00   1.00                                                                                                           
  14.00   5.00  25.54   4.00   1.00                                                                                                           
  14.00  13.00  27.49   4.00   1.00                                                                                                           
  15.00   3.00  22.91   4.00   1.00                                                                                                           
  15.00   5.00  28.79   4.00   1.00                                                                                                           
  15.00  11.00  24.20   4.00   1.00                                                                                                           
  16.00   1.00  21.49   4.00   1.00                                                                                                           
  16.00   7.00  29.85   4.00   1.00                                                                                                           
  17.00   3.00  23.06   4.00   1.00                                                                                                           
  17.00   5.00  31.30   4.00   1.00                                                                                                           
  17.00   9.00  32.18   4.00   1.00                                                                                                           
  18.00   3.00  23.30   4.00   1.00                                                                                                           
  18.00   5.00  23.80   4.00   1.00                                                                                                           
  18.00   7.00  48.03   4.00   1.00                                                                                                           
  19.00   5.00  37.88   4.00   1.00                                                                                                           
  19.00   9.00  22.85   4.00   1.00                                                                                                           
  20.00   3.00  24.42   4.00   1.00                                                                                                           
  20.00   7.00  27.39   4.00   1.00                                                                                                           
1                                                                                                                                           
1.0  0.0  1.0  1.0  1.0  1.0  1.0  0.0
40 40
p2gg
0
4                                                                                                                                         
0.0    1.00   0.0    1.00                                                                                                                  
0.0   -1.00   0.0   -1.00                                                                                                                  
0.50  -1.00   0.50   1.00                                                                                                                  
0.50   1.00   0.50  -1.00                                                                                                                  
5                                                                                                                                         
Ni                                                                                                                                            
1.000000  12.837600   3.878500   7.292000   0.256500                                                                                       
4.443800  12.176300   2.380000  66.342100   1.034100                                                                                       
S                                                                                                                                             
2.000000   6.905300   1.467900   5.203400  22.215100                                                                                       
1.437900   0.253600   1.586300  56.172000   0.866900                                                                                       
N                                                                                                                                             
6.000000  12.212600   0.005700   3.132200   9.893300                                                                                       
2.012500  28.997500   1.166300   0.582600 -11.529000                                                                                       
C                                                                                                                                             
12.000000   2.310000  20.843900   1.020000  10.207500                                                                                       
1.588600   0.568700   0.865000  51.651200   0.215600                                                                                       
H                                                                                                                                             
14.000000   0.489918  20.659300   0.262003   7.740390                                                                                       
0.196767  49.551900   0.049879   2.201590   0.001305
28.0	16.0	7.0	6.0	1.0                                                                                       
4                                                                                                                                           
2.5                                                                                                                                         
