36 atoms Coords 1 83.365082 7.879407 288.729832 2 81.881805 7.132546 287.936448 3 80.901671 8.411788 287.033903 4 81.896618 9.956722 286.808346 5 81.844297 11.000221 288.338232 6 83.536126 11.228459 288.981440 7 82.865554 8.650115 290.330008 8 83.682016 10.280003 290.541375 9 81.106100 12.685983 287.961099 10 80.823617 10.155294 289.657627 11 79.333656 8.803382 288.006579 12 80.443402 7.718353 285.341354 13 84.139015 9.159956 287.576120 14 82.833240 11.216800 291.946552 15 84.616723 6.520272 289.071083 16 81.003201 13.249988 288.889820 17 80.127873 12.562868 287.501024 18 81.763737 13.226233 287.280913 19 81.288174 10.320927 290.630334 20 80.778838 9.088540 289.453724 21 79.817547 10.570785 289.661244 22 79.240480 9.882875 288.125436 23 79.387272 8.332654 288.989942 24 78.466343 8.420889 287.469475 25 80.566823 8.492174 284.585375 26 79.407453 7.380900 285.351740 27 81.096412 6.873841 285.106992 28 83.499133 10.038166 287.518797 29 84.252596 8.728110 286.578706 30 85.119777 9.448178 287.957314 31 83.580303 11.749804 292.532928 32 82.118705 11.930637 291.532613 33 82.305741 10.507907 292.589306 34 85.065192 6.677202 290.051700 35 85.393814 6.542341 288.308006 36 84.115438 5.551722 289.051242 Types 1 5 2 4 3 5 4 4 5 5 6 4 7 4 8 5 9 1 10 1 11 1 12 1 13 1 14 1 15 1 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 30 2 31 2 32 2 33 2 34 2 35 2 36 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