29 atoms Coords 1 127.455554 19.201855 318.117085 2 127.830600 17.385651 318.273504 3 128.190681 16.918061 320.018552 4 129.732407 17.768799 320.549696 5 129.420900 19.569961 320.774746 6 128.304082 20.251767 319.431388 7 130.279810 17.046449 322.192907 8 131.109332 17.524108 319.290749 9 126.319408 16.420421 317.701911 10 129.286037 16.958194 317.164973 11 128.031719 22.106666 319.374029 12 126.398132 19.321596 318.241932 13 127.393711 17.356082 320.611277 14 128.846144 19.649492 321.695344 15 131.070104 17.666133 322.616478 16 130.653595 16.035067 322.038402 17 129.432238 17.020595 322.877237 18 130.977086 18.220528 318.464981 19 131.084508 16.502810 318.915602 20 132.073439 17.711167 319.770699 21 125.437583 17.060507 317.758591 22 126.178360 15.551461 318.345371 23 126.464067 16.092043 316.673785 24 128.954137 16.937940 316.125825 25 129.678759 15.980573 317.439270 26 130.064908 17.709961 317.280828 27 128.811218 22.605773 319.949780 28 127.057246 22.345268 319.797096 29 128.071915 22.445445 318.338766 Types 1 3 2 5 3 3 4 5 5 3 6 5 7 1 8 1 9 1 10 1 11 1 12 2 13 2 14 2 15 2 16 2 17 2 18 2 19 2 20 2 21 2 22 2 23 2 24 2 25 2 26 2 27 2 28 2 29 2 Charges 1 0.00000000 2 0.00000000 3 0.00000000 4 0.00000000 5 0.00000000 6 0.00000000 7 0.00000000 8 0.00000000 9 0.00000000 10 0.00000000 11 0.00000000 12 0.00000000 13 0.00000000 14 0.00000000 15 0.00000000 16 0.00000000 17 0.00000000 18 0.00000000 19 0.00000000 20 0.00000000 21 0.00000000 22 0.00000000 23 0.00000000 24 0.00000000 25 0.00000000 26 0.00000000 27 0.00000000 28 0.00000000 29 0.00000000