# ATOMDATA type Id x=3 u=3 F=3 neighbors=4 # Box 20 0 0 0 20 0 0 0 20 C 1 6 10 10 0 0 0 0 0 0 2 0 0 0 C 2 7.6 10 10 0 0 0 0 0 0 1 3 0 0 C 3 8.7 10 10 0 0 0 0 0 0 2 4 0 0 C 4 10.8 10 10 0 0 0 0 0 0 3 5 0 0 C 5 12.4 10 10 0 0 0 0 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 6 10 10 0 0 0 0 0 0 2 0 0 0 C 2 7.57354 10 10 0 0 0 -0.264589 0 0 1 3 0 0 C 3 8.75292 10 10 0 0 0 0.529177 0 0 2 4 0 0 C 4 10.7735 10 10 0 0 0 -0.264589 0 0 3 5 0 0 C 5 12.4 10 10 0 0 0 0 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.9986 10 10 0 0 0 -0.014002 0 0 2 0 0 0 C 2 7.54708 10 10 0 0 0 -0.208581 0 0 1 3 0 0 C 3 8.80584 10 10 0 0 0 0.445144 0 0 2 4 0 0 C 4 10.7471 10 10 0 0 0 -0.208538 0 0 3 5 0 0 C 5 12.3986 10 10 0 0 0 -0.0140232 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.9972 10 10 0 0 0 -0.0272632 0 0 2 0 0 0 C 2 7.51063 10 10 0 0 0 -0.153313 0 0 1 3 0 0 C 3 8.91959 10 10 0 0 0 0.361163 0 0 2 4 0 0 C 4 10.7106 10 10 0 0 0 -0.153334 0 0 3 5 0 0 C 5 12.3972 10 10 0 0 0 -0.0272526 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.99518 10 10 0 0 0 -0.0458109 0 0 2 0 0 0 C 2 7.49748 10 10 0 0 0 -0.0552831 0 0 1 3 0 0 C 3 9.01424 10 10 0 0 0 0.202172 0 0 2 4 0 0 C 4 10.6975 10 10 0 0 0 -0.0552514 0 0 3 5 0 0 C 5 12.3952 10 10 0 0 0 -0.0458267 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.99092 10 10 0 0 0 -0.0517006 0 0 2 0 0 0 C 2 7.49786 10 10 0 0 0 0.0076519 0 0 1 3 0 0 C 3 9.04478 10 10 0 0 0 0.088108 0 0 2 4 0 0 C 4 10.6979 10 10 0 0 0 0.00764132 0 0 3 5 0 0 C 5 12.3909 10 10 0 0 0 -0.0517006 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.92974 10 10 0 0 0 -0.0492452 0 0 2 0 0 0 C 2 7.49797 10 10 0 0 0 0.0211565 0 0 1 3 0 0 C 3 9.05654 10 10 0 0 0 0.0561986 0 0 2 4 0 0 C 4 10.698 10 10 0 0 0 0.0211036 0 0 3 5 0 0 C 5 12.3288 10 10 0 0 0 -0.0492135 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.90026 10 10 0 0 0 -0.016812 0 0 2 0 0 0 C 2 7.49784 10 10 0 0 0 -0.00511185 0 0 1 3 0 0 C 3 9.0682 10 10 0 0 0 0.0438635 0 0 2 4 0 0 C 4 10.6978 10 10 0 0 0 -0.00564103 0 0 3 5 0 0 C 5 12.3002 10 10 0 0 0 -0.0162987 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.89948 10 10 0 0 0 -0.00128061 0 0 2 0 0 0 C 2 7.49779 10 10 0 0 0 -0.0144042 0 0 1 3 0 0 C 3 9.0829 10 10 0 0 0 0.0313485 0 0 2 4 0 0 C 4 10.6978 10 10 0 0 0 -0.0143936 0 0 3 5 0 0 C 5 12.2995 10 10 0 0 0 -0.00127003 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.89943 10 10 0 0 0 -0.00089431 0 0 2 0 0 0 C 2 7.4976 10 10 0 0 0 -0.00698514 0 0 1 3 0 0 C 3 9.09115 10 10 0 0 0 0.0157642 0 0 2 4 0 0 C 4 10.6975 10 10 0 0 0 -0.00698514 0 0 3 5 0 0 C 5 12.2994 10 10 0 0 0 -0.000899601 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.8993 10 10 0 0 0 -0.000968394 0 0 2 0 0 0 C 2 7.49756 10 10 0 0 0 -0.0024448 0 0 1 3 0 0 C 3 9.09342 10 10 0 0 0 0.00677347 0 0 2 4 0 0 C 4 10.6974 10 10 0 0 0 -0.00235484 0 0 3 5 0 0 C 5 12.2993 10 10 0 0 0 -0.00100544 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.89452 10 10 0 0 0 -0.000920768 0 0 2 0 0 0 C 2 7.49755 10 10 0 0 0 -0.00127003 0 0 1 3 0 0 C 3 9.09428 10 10 0 0 0 0.00429692 0 0 2 4 0 0 C 4 10.6974 10 10 0 0 0 -0.00110069 0 0 3 5 0 0 C 5 12.2977 10 10 0 0 0 -0.00100544 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.89454 10 10 0 0 0 0.00160341 0 0 2 0 0 0 C 2 7.49752 10 10 0 0 0 -0.00333382 0 0 1 3 0 0 C 3 9.09513 10 10 0 0 0 0.00338144 0 0 2 4 0 0 C 4 10.6974 10 10 0 0 0 -0.00149228 0 0 3 5 0 0 C 5 12.2974 10 10 0 0 0 -0.000158753 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.89456 10 10 0 0 0 0.00157695 0 0 2 0 0 0 C 2 7.49746 10 10 0 0 0 -0.00284168 0 0 1 3 0 0 C 3 9.09627 10 10 0 0 0 0.00246597 0 0 2 4 0 0 C 4 10.6972 10 10 0 0 0 -0.00120123 0 0 3 5 0 0 C 5 12.2974 10 10 0 0 0 -4.33681e-20 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.89484 10 10 0 0 0 0.00153461 0 0 2 0 0 0 C 2 7.49735 10 10 0 0 0 -0.00216433 0 0 1 3 0 0 C 3 9.09684 10 10 0 0 0 0.00112186 0 0 2 4 0 0 C 4 10.6971 10 10 0 0 0 -0.000386299 0 0 3 5 0 0 C 5 12.2974 10 10 0 0 0 -0.000105835 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.89634 10 10 0 0 0 0.00132823 0 0 2 0 0 0 C 2 7.49721 10 10 0 0 0 -0.00159812 0 0 1 3 0 0 C 3 9.09695 10 10 0 0 0 0.000407466 0 0 2 4 0 0 C 4 10.6971 10 10 0 0 0 2.11671e-05 0 0 3 5 0 0 C 5 12.2974 10 10 0 0 0 -0.000158753 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.89699 10 10 0 0 0 0.000460384 0 0 2 0 0 0 C 2 7.49715 10 10 0 0 0 -0.00059797 0 0 1 3 0 0 C 3 9.09698 10 10 0 0 0 0.000216963 0 0 2 4 0 0 C 4 10.6971 10 10 0 0 0 7.93766e-05 0 0 3 5 0 0 C 5 12.2973 10 10 0 0 0 -0.000158753 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.89703 10 10 0 0 0 8.46684e-05 0 0 2 0 0 0 C 2 7.49714 10 10 0 0 0 -0.000174628 0 0 1 3 0 0 C 3 9.09699 10 10 0 0 0 0.000153461 0 0 2 4 0 0 C 4 10.6971 10 10 0 0 0 4.23342e-05 0 0 3 5 0 0 C 5 12.2973 10 10 0 0 0 -0.000105835 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.89704 10 10 0 0 0 5.82095e-05 0 0 2 0 0 0 C 2 7.49714 10 10 0 0 0 -0.000137586 0 0 1 3 0 0 C 3 9.09702 10 10 0 0 0 0.000137586 0 0 2 4 0 0 C 4 10.6971 10 10 0 0 0 4.7626e-05 0 0 3 5 0 0 C 5 12.2973 10 10 0 0 0 -0.000105835 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.89705 10 10 0 0 0 5.29177e-05 0 0 2 0 0 0 C 2 7.49714 10 10 0 0 0 -0.000116419 0 0 1 3 0 0 C 3 9.09708 10 10 0 0 0 0.000105835 0 0 2 4 0 0 C 4 10.6971 10 10 0 0 0 6.35013e-05 0 0 3 5 0 0 C 5 12.2973 10 10 0 0 0 -0.000105835 0 0 4 0 0 0 # ATOMDATA type Id x=3 u=3 F=3 neighbors=4 C 1 5.8971 10 10 0 0 0 4.7626e-05 0 0 2 0 0 0 C 2 7.49713 10 10 0 0 0 -7.93766e-05 0 0 1 3 0 0 C 3 9.09711 10 10 0 0 0 4.23342e-05 0 0 2 4 0 0 C 4 10.6971 10 10 0 0 0 9.52519e-05 0 0 3 5 0 0 C 5 12.2973 10 10 0 0 0 -0.000105835 0 0 4 0 0 0