@MOLECULE (-)-alpha-thujone 27 28 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3462 -1.6425 -0.1869 O.2 1 UNL1111111111 -0.4551 2 C 0.7183 0.0943 0.4267 C.3 1 UNL1111111111 -0.0042 3 C -0.3257 1.2149 0.5318 C.3 1 UNL1111111111 -0.1859 4 C 0.4042 0.7359 1.7672 C.3 1 UNL1111111111 -0.3535 5 C -1.7068 0.6435 0.2736 C.3 1 UNL1111111111 -0.1876 6 C -0.0020 -1.2077 0.1356 C.3 1 UNL1111111111 -0.3872 7 C 2.0666 0.3257 -0.2128 C.3 1 UNL1111111111 -0.0642 8 C -1.4741 -0.8517 0.0412 C.2 1 UNL1111111111 0.4790 9 C -2.3645 1.2541 -0.9581 C.3 1 UNL1111111111 -0.4334 10 C 3.0576 -0.7573 0.2296 C.3 1 UNL1111111111 -0.4472 11 C 1.9496 0.3616 -1.7415 C.3 1 UNL1111111111 -0.4495 12 H -0.1409 2.2129 0.1485 H 1 UNL1111111111 0.1623 13 H -0.1240 0.1708 2.5288 H 1 UNL1111111111 0.1620 14 H 1.1390 1.3832 2.2361 H 1 UNL1111111111 0.1598 15 H -2.3689 0.7771 1.1618 H 1 UNL1111111111 0.1693 16 H 0.1705 -1.9680 0.9195 H 1 UNL1111111111 0.1784 17 H 0.3386 -1.6746 -0.8083 H 1 UNL1111111111 0.1805 18 H 2.4584 1.3198 0.1268 H 1 UNL1111111111 0.1364 19 H -1.7095 1.2042 -1.8364 H 1 UNL1111111111 0.1496 20 H -3.2937 0.7230 -1.2118 H 1 UNL1111111111 0.1639 21 H -2.6184 2.3077 -0.7942 H 1 UNL1111111111 0.1500 22 H 2.7516 -1.7513 -0.1138 H 1 UNL1111111111 0.1475 23 H 4.0584 -0.5649 -0.1709 H 1 UNL1111111111 0.1438 24 H 3.1373 -0.7966 1.3220 H 1 UNL1111111111 0.1467 25 H 1.6732 -0.6148 -2.1536 H 1 UNL1111111111 0.1470 26 H 2.8990 0.6532 -2.2030 H 1 UNL1111111111 0.1451 27 H 1.1876 1.0812 -2.0624 H 1 UNL1111111111 0.1465 @BOND 1 1 8 2 2 2 3 1 3 2 4 1 4 2 6 1 5 2 7 1 6 3 4 1 7 3 5 1 8 3 12 1 9 4 13 1 10 4 14 1 11 5 8 1 12 5 9 1 13 5 15 1 14 6 8 1 15 6 16 1 16 6 17 1 17 7 10 1 18 7 11 1 19 7 18 1 20 9 19 1 21 9 20 1 22 9 21 1 23 10 22 1 24 10 23 1 25 10 24 1 26 11 25 1 27 11 26 1 28 11 27 1