29 atoms Coords 1 76.542366 25.062137 386.070847 2 76.917412 23.245934 386.227266 3 77.277493 22.778344 387.972314 4 78.819219 23.629082 388.503457 5 78.507712 25.430244 388.728508 6 77.390894 26.112050 387.385150 7 79.366622 22.906732 390.146668 8 80.196144 23.384391 387.244510 9 75.406220 22.280704 385.655673 10 78.372849 22.818477 385.118735 11 77.118531 0.873799 387.327791 12 75.484944 25.181879 386.195693 13 76.480523 23.216365 388.565038 14 77.932956 25.509775 389.649105 15 80.156916 23.526416 390.570240 16 79.740407 21.895349 389.992164 17 78.519050 22.880878 390.830999 18 80.063898 24.080811 386.418742 19 80.171320 22.363092 386.869364 20 81.160251 23.571450 387.724460 21 74.524395 22.920790 385.712353 22 75.265172 21.411743 386.299133 23 75.550879 21.952326 384.627547 24 78.040949 22.798223 384.079586 25 78.765571 21.840856 385.393032 26 79.151720 23.570244 385.234589 27 77.898030 1.372905 387.903541 28 76.144058 1.112401 387.750857 29 77.158727 1.212577 386.292527 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