# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.676200 1.669734 0.000000 11.020716 1.305160 36.068448 2 2.892064 1.669734 0.000000 11.020716 1.305161 36.068448 3 5.784136 1.669734 0.000000 11.020716 1.305158 36.068448 4 10.122236 4.174342 0.000000 11.020716 1.305156 36.068448 5 4.338100 4.174342 0.000000 11.020716 1.305158 36.068448 6 7.230172 4.174342 0.000000 11.020716 1.305155 36.068448 7 11.568268 6.678943 0.000000 11.020716 1.305158 36.068448 8 5.784132 6.678943 0.000000 11.020716 1.305160 36.068448 9 8.676204 6.678943 0.000000 11.020716 1.305156 36.068448 10 0.000000 0.000000 2.361358 10.976142 1.280316 17.078995 11 2.892064 0.000000 2.361358 10.976142 1.280315 17.078995 12 5.784136 0.000000 2.361358 10.976142 1.280318 17.078995 13 1.446032 2.504601 2.361358 10.976142 1.280315 17.078995 14 4.338096 2.504601 2.361358 10.976142 1.280314 17.078995 15 7.230168 2.504601 2.361358 10.976142 1.280316 17.078995 16 2.892068 5.009209 2.361358 10.976142 1.280318 17.078995 17 5.784132 5.009209 2.361358 10.976142 1.280316 17.078995 18 8.676204 5.009209 2.361358 10.976142 1.280319 17.078995 19 1.446032 0.834867 4.734898 11.002663 1.287768 17.160939 20 4.338096 0.834867 4.734898 11.002663 1.287766 17.160939 21 7.230168 0.834867 4.734898 11.002663 1.287770 17.160939 22 2.892064 3.339468 4.734898 11.002663 1.287766 17.160939 23 5.784128 3.339468 4.734898 11.002663 1.287765 17.160939 24 8.676200 3.339468 4.734898 11.002663 1.287768 17.160939 25 4.338100 5.844076 4.734898 11.002663 1.287770 17.160939 26 7.230164 5.844076 4.734898 11.002663 1.287768 17.160939 27 10.122236 5.844076 4.734898 11.002663 1.287771 17.160939 28 8.676200 1.669734 7.103291 10.978115 1.305711 17.266587 29 2.892064 1.669734 7.103291 10.978115 1.305712 17.266587 30 5.784136 1.669734 7.103291 10.978115 1.305710 17.266587 31 10.122236 4.174342 7.103291 10.978115 1.305708 17.266587 32 4.338100 4.174342 7.103291 10.978115 1.305710 17.266587 33 7.230172 4.174342 7.103291 10.978115 1.305707 17.266587 34 11.568268 6.678943 7.103291 10.978115 1.305710 17.266587 35 5.784132 6.678943 7.103291 10.978115 1.305711 17.266587 36 8.676204 6.678943 7.103291 10.978115 1.305708 17.266587 37 0.000000 0.000000 9.518842 11.021757 1.313434 36.423315 38 2.892064 0.000000 9.518842 11.021757 1.313431 36.423315 39 5.784136 0.000000 9.518842 11.021757 1.313431 36.423315 40 1.446032 2.504601 9.518842 11.021757 1.313431 36.423315 41 4.338096 2.504601 9.518842 11.021757 1.313430 36.423315 42 7.230168 2.504601 9.518842 11.021757 1.313433 36.423315 43 2.892068 5.009209 9.518842 11.021757 1.313431 36.423315 44 5.784132 5.009209 9.518842 11.021757 1.313433 36.423315 45 8.676204 5.009209 9.518842 11.021757 1.313430 36.423315 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0055 VACUUM VOLUME: 282.0726 NUMBER OF ELECTRONS: 495.0000