12   1
0  NI      0.00000      0.00000      0.00000
1  S      2.30862     -0.00000     -0.00000
2  S     -0.08200      2.30717     -0.00133
3  C      2.70274      1.74323     -0.00028
4  C      3.29440      4.43305     -0.00021
5  N      4.00406      2.11981     -0.00060
6  C      1.64613      2.76295     -0.00055
7  N      1.97625      4.07682     -0.00054
8  C      4.31324      3.44977     -0.00046
9  C      3.60120      5.83724      0.00036
10  N      3.85763      6.99259      0.00103
11  C      5.70565      3.80626     -0.00060
12  N      6.85117      4.10356     -0.00065
