@MOLECULE cyclooctadiene 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 C -1.5743 0.6305 -0.4748 C.2 1 UNL1111111111 -0.1402 2 C -0.5708 1.5135 -0.4437 C.2 1 UNL1111111111 -0.1694 3 H -2.3949 0.7744 -1.1835 H 1 UNL1111111111 0.1357 4 H -0.5661 2.3657 -1.1318 H 1 UNL1111111111 0.1471 5 C 0.5708 1.5051 0.4639 C.2 1 UNL1111111111 -0.1689 6 C 1.5767 0.6236 0.4663 C.2 1 UNL1111111111 -0.1402 7 H 0.5636 2.3376 1.1744 H 1 UNL1111111111 0.1472 8 H 2.3977 0.7392 1.1768 H 1 UNL1111111111 0.1361 9 C -1.7406 -0.5798 0.3858 C.3 1 UNL1111111111 -0.2745 10 C 1.7277 -0.5555 -0.4405 C.3 1 UNL1111111111 -0.2748 11 H -2.1687 -0.2704 1.3624 H 1 UNL1111111111 0.1470 12 C -0.4560 -1.3932 0.6357 C.3 1 UNL1111111111 -0.2552 13 H -2.4988 -1.2523 -0.0692 H 1 UNL1111111111 0.1365 14 H 2.0392 -0.1974 -1.4456 H 1 UNL1111111111 0.1472 15 C 0.4688 -1.4340 -0.5894 C.3 1 UNL1111111111 -0.2537 16 H 2.5638 -1.1921 -0.0839 H 1 UNL1111111111 0.1354 17 H 0.0817 -0.9798 1.5106 H 1 UNL1111111111 0.1470 18 H -0.7354 -2.4219 0.9288 H 1 UNL1111111111 0.1265 19 H 0.7822 -2.4764 -0.7854 H 1 UNL1111111111 0.1267 20 H -0.0911 -1.1234 -1.4925 H 1 UNL1111111111 0.1446 @BOND 1 1 2 2 2 1 3 1 3 2 4 1 4 2 5 1 5 6 5 2 6 5 7 1 7 6 8 1 8 1 9 1 9 6 10 1 10 9 11 1 11 9 12 1 12 9 13 1 13 10 14 1 14 10 15 1 15 10 16 1 16 12 17 1 17 12 18 1 18 15 19 1 19 15 20 1 20 15 12 1