# This is the geometry. 33 atoms 6 atom types -7.65 9.81 xlo xhi -9.33 9.33 ylo yhi -1.49 22.28 zlo zhi Masses 1 197.000 2 12.000 3 1.000 4 16.000 5 14.000 6 32.000 Atoms 1 5 0.00000 0.00000 0.00000 4.50000 2 2 0.00000 0.00000 0.82673 5.70393 3 2 0.00000 0.00000 2.29473 5.35059 4 4 0.00000 0.00000 2.68877 4.17509 5 2 0.00000 1.21000 0.42946 6.57185 6 6 0.00000 1.16800 1.28952 8.15952 7 3 0.00000 -0.00000 0.43071 3.51001 8 3 0.00000 -0.00000 -1.07915 4.54685 9 3 0.00000 -0.93100 0.62382 6.26449 10 3 0.00000 0.00000 3.71906 4.15760 11 3 0.00000 1.21800 -0.65694 6.77415 12 3 0.00000 2.16800 0.65267 6.05846 13 4 0.00000 0.00000 3.20411 6.45369 14 1 0.00000 1.92813 0.00000 14.77837 15 1 0.00000 -0.16224 2.88429 10.24101 16 1 0.00000 0.88320 1.44179 12.51025 17 1 0.00000 -1.60438 0.00000 12.73887 18 1 0.00000 -2.64931 1.44179 10.47075 19 1 0.00000 0.88320 -1.44179 12.51024 20 1 0.00000 2.32535 1.44250 10.01238 21 1 0.00000 -0.55859 1.44179 15.00750 22 1 0.00000 -2.64896 4.32608 10.47013 23 1 0.00000 3.36993 0.00000 12.28112 24 1 0.00000 -0.16259 0.00000 10.24162 25 1 0.00000 -1.60438 2.88358 12.73887 26 1 0.00000 2.32535 -1.44250 10.01238 27 1 0.00000 -0.16224 -2.88429 10.24101 28 1 0.00000 4.81242 0.00000 9.78264 29 1 0.00000 -2.64931 -1.44179 10.47074 30 1 0.00000 -1.60438 -2.88358 12.73887 31 1 0.00000 -0.55859 -1.44179 15.00750 32 1 0.00000 -2.64896 -4.32608 10.47013 33 1 0.00000 0.48634 0.00000 17.27563