File: SS.mol1.dat.save

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file content (24 lines) | stat: -rw-r--r-- 1,956 bytes parent folder | download
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       1        1        2     0.4244     1.6873    -3.0202   -35.2746    -6.7814    -5.4424
       1        2        3    -0.2555     0.7987    -3.2362   -35.7276    -2.1850    -6.8061
       1        3        4    -0.0998     1.9104    -3.3662   -27.8891    -9.9525    -1.2867
       1        4        5     0.3373     2.5879    -3.6257   -22.2756   -11.4412     8.5537
       1        5        6     0.1247     2.2962    -3.3979   -33.8854    -3.2129     4.3427
       1        6        7     0.2318     1.6716    -3.5599   -33.0298    10.6401    -0.2615
       1        7        8    -0.8020     1.9258    -3.2655   -31.8395   -14.3221     2.4808

       2        1        2    -0.0439     1.2648    -3.1562   -30.9961   -11.1187    -1.7923
       2        2        3    -0.7103     1.9338    -3.4367   -31.6038   -10.8048     3.7188
       2        3        4    -1.3431     2.6121    -3.3683   -31.4833    -1.2860     2.8079
       2        4        5     0.0361     3.1875    -2.7159   -24.6762   -10.3099    -4.2013
       2        5        6    -0.5415     1.1920    -3.2166   -39.5141     7.4527    -5.3292
       2        6        7     0.5282     1.6169    -3.3840   -27.3617   -11.4663     0.0348
       2        7        8    -0.5387     1.8412    -3.6033   -25.2908    -3.3087     1.3867

       3        1        2    -0.2586     2.0621    -3.3302   -36.2437     0.8977     0.5503
       3        2        3    -0.3917     1.8249    -2.6137   -33.0048   -17.9030    -8.8095
       3        3        4    -0.3873     2.2611    -3.4718   -28.1694    -0.2657    -1.2894
       3        4        5     0.1903     2.3807    -3.3103   -21.4521    -6.7080     3.1537
       3        5        6    -0.3730     1.8294    -3.3952   -36.5609    -4.5676     1.3773
       3        6        7     0.1547     2.0230    -3.4915   -27.4189    -1.6014    -0.4249
       3        7        8     0.0643     2.0487    -3.1790   -35.6223   -21.5896     0.4147