29 atoms Coords 1 99.007665 22.078273 324.341161 2 99.382711 20.262070 324.497580 3 99.742793 19.794479 326.242628 4 101.284518 20.645218 326.773772 5 100.973012 22.446380 326.998822 6 99.856194 23.128185 325.655464 7 101.831922 19.922868 328.416983 8 102.661443 20.400527 325.514824 9 97.871520 19.296840 323.925987 10 100.838148 19.834613 323.389049 11 99.583831 24.983085 325.598105 12 97.950243 22.198015 324.466007 13 98.945822 20.232501 326.835353 14 100.398256 22.525911 327.919420 15 102.622216 20.542552 328.840554 16 102.205706 18.911485 328.262478 17 100.984349 19.897014 329.101313 18 102.529197 21.096947 324.689057 19 102.636619 19.379228 325.139678 20 103.625551 20.587586 325.994774 21 96.989694 19.936926 323.982667 22 97.730472 18.427879 324.569447 23 98.016178 18.968461 322.897861 24 100.506249 19.814359 322.349900 25 101.230870 18.856992 323.663346 26 101.617020 20.586380 323.504903 27 100.363330 25.482191 326.173856 28 98.609358 25.221687 326.021171 29 99.624027 25.321863 324.562841 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