# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.676200 1.669734 0.000000 11.021203 1.305160 36.033909 2 2.892064 1.669734 0.000000 11.021203 1.305161 36.033909 3 5.784136 1.669734 0.000000 11.021203 1.305158 36.033909 4 10.122236 4.174342 0.000000 11.021203 1.305156 36.033909 5 4.338100 4.174342 0.000000 11.021203 1.305158 36.033909 6 7.230172 4.174342 0.000000 11.021203 1.305155 36.033909 7 11.568268 6.678943 0.000000 11.021203 1.305158 36.033909 8 5.784132 6.678943 0.000000 11.021203 1.305160 36.033909 9 8.676204 6.678943 0.000000 11.021203 1.305156 36.033909 10 0.000000 0.000000 2.361358 10.978584 1.280316 17.091185 11 2.892064 0.000000 2.361358 10.978584 1.280315 17.091185 12 5.784136 0.000000 2.361358 10.978584 1.280318 17.091185 13 1.446032 2.504601 2.361358 10.978584 1.280315 17.091185 14 4.338096 2.504601 2.361358 10.978584 1.280314 17.091185 15 7.230168 2.504601 2.361358 10.978584 1.280316 17.091185 16 2.892068 5.009209 2.361358 10.978584 1.280318 17.091185 17 5.784132 5.009209 2.361358 10.978584 1.280316 17.091185 18 8.676204 5.009209 2.361358 10.978584 1.280319 17.091185 19 1.446032 0.834867 4.734898 10.996073 1.287768 17.131818 20 4.338096 0.834867 4.734898 10.996073 1.287766 17.131818 21 7.230168 0.834867 4.734898 10.996073 1.287770 17.131818 22 2.892064 3.339468 4.734898 10.996073 1.287766 17.131818 23 5.784128 3.339468 4.734898 10.996073 1.287765 17.131818 24 8.676200 3.339468 4.734898 10.996073 1.287768 17.131818 25 4.338100 5.844076 4.734898 10.996073 1.287770 17.131818 26 7.230164 5.844076 4.734898 10.996073 1.287768 17.131818 27 10.122236 5.844076 4.734898 10.996073 1.287771 17.131818 28 8.676200 1.669734 7.103291 10.970053 1.305711 17.208345 29 2.892064 1.669734 7.103291 10.984575 1.305712 17.303157 30 5.784136 1.669734 7.103291 10.977314 1.305710 17.255751 31 10.122236 4.174342 7.103291 10.970053 1.305708 17.208345 32 4.338100 4.174342 7.103291 10.984575 1.305710 17.303157 33 7.230172 4.174342 7.103291 10.977314 1.305707 17.255751 34 11.568268 6.678943 7.103291 10.970053 1.305710 17.208345 35 5.784132 6.678943 7.103291 10.984575 1.305711 17.303157 36 8.676204 6.678943 7.103291 10.977314 1.305708 17.255751 37 0.000000 0.000000 9.518842 11.026194 1.313434 36.198475 38 2.892064 0.000000 9.518842 11.026194 1.313431 36.198475 39 5.784136 0.000000 9.518842 11.026194 1.313431 36.198475 40 1.446032 2.504601 9.518842 11.026194 1.313431 36.198475 41 4.338096 2.504601 9.518842 11.026194 1.313430 36.198475 42 7.230168 2.504601 9.518842 11.026194 1.313433 36.198475 43 2.892068 5.009209 9.518842 11.026194 1.313431 36.198475 44 5.784132 5.009209 9.518842 11.026194 1.313433 36.198475 45 8.676204 5.009209 9.518842 11.026194 1.313430 36.198475 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0057 VACUUM VOLUME: 284.6569 NUMBER OF ELECTRONS: 495.0000