12 atoms Coords 1 42.634362 13.544419 315.072547 2 41.083787 13.704218 316.099485 3 43.702581 15.029424 315.409092 4 43.560945 12.071786 315.708803 5 41.247460 14.752345 317.058035 6 40.836155 12.470196 316.780944 7 39.974977 14.006584 315.247120 8 43.068974 16.203387 314.896585 9 43.896859 15.166278 316.818773 10 44.811834 11.964574 315.023943 11 42.789565 10.889770 315.485610 12 43.796755 12.231640 317.109836 Types 1 3 2 5 3 5 4 5 5 2 6 2 7 2 8 2 9 2 10 2 11 2 12 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