1     4  Nitrate Ion
2     1  N      1.871360   -0.000005    0.045551     1     2     3     4
3     2  O      2.005641    1.091881   -0.569969     2     1
4     3  O      2.005720   -1.091542   -0.570571     2     1
5     4  O      1.602718   -0.000354    1.277194     2     1
6