@MOLECULE cubane 16 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 0.3924 1.2837 -0.2462 C.3 1 UNL1 -0.1487 2 C -0.9605 0.8623 0.4431 C.3 1 UNL1 -0.1486 3 C -1.1722 -0.2505 -0.6525 C.3 1 UNL1 -0.1486 4 C -0.3924 -1.2837 0.2462 C.3 1 UNL1 -0.1487 5 C -0.1808 -0.1709 1.3418 C.3 1 UNL1 -0.1485 6 C 1.1722 0.2505 0.6525 C.3 1 UNL1 -0.1485 7 C 0.9605 -0.8623 -0.4431 C.3 1 UNL1 -0.1486 8 C 0.1808 0.1709 -1.3418 C.3 1 UNL1 -0.1484 9 H 0.6978 2.2835 -0.4379 H 1 UNL1 0.1486 10 H -1.7086 1.5341 0.7878 H 1 UNL1 0.1486 11 H -2.0856 -0.4453 -1.1598 H 1 UNL1 0.1486 12 H -0.6981 -2.2834 0.4379 H 1 UNL1 0.1486 13 H -0.3218 -0.3049 2.3866 H 1 UNL1 0.1486 14 H 2.0854 0.4453 1.1603 H 1 UNL1 0.1486 15 H 1.7086 -1.5341 -0.7877 H 1 UNL1 0.1486 16 H 0.3218 0.3048 -2.3867 H 1 UNL1 0.1486 @BOND 1 16 8 1 2 8 3 1 3 8 7 1 4 8 1 1 5 11 3 1 6 15 7 1 7 3 4 1 8 3 2 1 9 7 4 1 10 7 6 1 11 9 1 1 12 1 2 1 13 1 6 1 14 4 12 1 15 4 5 1 16 2 10 1 17 2 5 1 18 6 14 1 19 6 5 1 20 5 13 1