40 atoms Coords 1 277.279867 9.220642 480.458431 2 278.077927 10.861353 480.228996 3 277.257814 8.334102 478.847443 4 278.925585 8.440841 478.069841 5 279.314082 10.196663 477.648448 6 277.850446 10.989836 476.858742 7 276.883609 12.072681 479.517121 8 277.392586 12.512553 477.801623 9 278.955964 7.400703 476.503464 10 280.210335 7.791338 479.278320 11 276.414735 9.775302 476.843833 12 278.264652 11.468438 475.086347 13 276.886126 13.619675 480.588789 14 275.151280 11.344606 479.471699 15 275.520885 9.439810 481.086591 16 278.265118 8.226942 481.718315 17 279.148100 6.359685 476.761943 18 279.743556 7.762642 475.842336 19 277.993332 7.477855 475.997496 20 280.763825 6.974181 478.816660 21 279.712025 7.429985 480.177942 22 280.899304 8.593640 479.542343 23 275.548139 10.227992 477.322122 24 276.697597 8.872455 477.382236 25 276.168281 9.518894 475.812221 26 279.324844 11.301880 474.901115 27 278.029330 12.522105 474.930546 28 277.675358 10.860299 474.398715 29 277.254796 13.369108 481.585007 30 275.873196 14.012354 480.664975 31 277.535677 14.371422 480.140657 32 274.609573 11.755160 478.618232 33 274.624622 11.599329 480.391055 34 275.213732 10.263406 479.374285 35 275.336718 10.492037 481.293961 36 275.388267 8.861150 482.001592 37 274.817769 9.087778 480.331450 38 279.262067 8.656985 481.821509 39 278.348394 7.193437 481.383705 40 277.756182 8.256574 482.682787 Types 1 4 2 3 3 3 4 4 5 3 6 4 7 4 8 3 9 1 10 1 11 1 12 1 13 1 14 1 15 1 16 1 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 30 2 31 2 32 2 33 2 34 2 35 2 36 2 37 2 38 2 39 2 40 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 30 0.00000000 31 0.00000000 32 0.00000000 33 0.00000000 34 0.00000000 35 0.00000000 36 0.00000000 37 0.00000000 38 0.00000000 39 0.00000000 40 0.00000000