13   1
0  S      0.00000      0.00000      0.00000
1  NI      1.49975     -0.00000      0.00000
2  S      3.80206      0.16437      0.04600
3  S      1.58856     -2.22343     -0.61499
4  C      4.32399     -1.48292     -0.41028
5  C      5.11289     -4.02575     -1.11514
6  N      5.64958     -1.75225     -0.48437
7  C      3.34566     -2.53820     -0.70274
8  N      3.77202     -3.77735     -1.04619
9  C      6.05625     -3.00832     -0.83266
10  C      5.52268     -5.35322     -1.48367
11  N      5.86382     -6.44509     -1.78699
12  C      7.47121     -3.25181     -0.89974
13  N      8.63557     -3.45598     -0.95608
