1 a1-C10H7-CH3 a1-C10H7-CH3 1 142.2004 200 6000 1000
2 21.793921 0.03602141 -1.332287e-05 2.193044e-09 -1.3307138e-13 3162.6144 -94.86754
3 -1.0304372 0.060335818 5.4565572e-05 -1.2276925e-07 5.5450733e-11 11324.101 32.297061;
5 N-C10H22(DECANE) N-C10H22(DECANE) 1 142.28468 200 6000 1000
6 29.478296 0.049051894 -1.7031718e-05 2.729193e-09 -1.6337077e-13 -44302.262 -124.06212
7 15.432817 -0.013297923 0.00028248058 -3.659233e-07 1.4537212e-10 -35863.283 -27.945434;
11 27.173 0.0451427 -1.59191e-05 2.56835e-09 -1.54281e-13 -30062.8 -115.304
12 10.4938 0.0087922 0.000214106 -2.92977e-07 1.18396e-10 -21707.1 -9.87269