@MOLECULE 3-terpinolenone 25 25 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5601 -2.1368 -0.2654 O.2 1 UNL111111111 -0.4874 2 C 0.1648 1.3838 -0.6010 C.3 1 UNL111111111 -0.2435 3 C 1.4769 1.4102 0.2012 C.3 1 UNL111111111 -0.3048 4 C -0.6867 0.2194 -0.2026 C.2 1 UNL111111111 -0.2523 5 C 2.1751 0.0878 0.1303 C.2 1 UNL111111111 0.1385 6 C -1.9979 0.3150 0.0960 C.2 1 UNL111111111 0.1570 7 C 0.0266 -1.0770 -0.1855 C.2 1 UNL111111111 0.4978 8 C 1.4948 -1.0522 -0.0543 C.2 1 UNL111111111 -0.3628 9 C 3.6553 0.1198 0.2898 C.3 1 UNL111111111 -0.4717 10 C -2.7227 1.6218 0.0751 C.3 1 UNL111111111 -0.4704 11 C -2.8186 -0.8707 0.4633 C.3 1 UNL111111111 -0.4675 12 H 0.3927 1.3124 -1.6873 H 1 UNL111111111 0.1510 13 H -0.3612 2.3489 -0.4735 H 1 UNL111111111 0.1419 14 H 1.2615 1.6505 1.2652 H 1 UNL111111111 0.1618 15 H 2.1242 2.2297 -0.1662 H 1 UNL111111111 0.1500 16 H 1.9731 -2.0277 -0.1059 H 1 UNL111111111 0.1788 17 H 4.1377 0.5500 -0.6015 H 1 UNL111111111 0.1649 18 H 4.0877 -0.8808 0.4351 H 1 UNL111111111 0.1637 19 H 3.9606 0.7303 1.1515 H 1 UNL111111111 0.1601 20 H -3.7982 1.5176 0.2711 H 1 UNL111111111 0.1578 21 H -2.3253 2.3089 0.8371 H 1 UNL111111111 0.1620 22 H -2.6279 2.1196 -0.9013 H 1 UNL111111111 0.1620 23 H -3.8219 -0.6213 0.8228 H 1 UNL111111111 0.1473 24 H -2.9287 -1.5500 -0.4029 H 1 UNL111111111 0.1874 25 H -2.3297 -1.4848 1.2394 H 1 UNL111111111 0.1787 @BOND 1 1 7 2 2 2 3 1 3 2 4 1 4 2 12 1 5 2 13 1 6 3 5 1 7 3 14 1 8 3 15 1 9 4 6 2 10 4 7 1 11 5 8 2 12 5 9 1 13 6 10 1 14 6 11 1 15 7 8 1 16 8 16 1 17 9 17 1 18 9 18 1 19 9 19 1 20 10 20 1 21 10 21 1 22 10 22 1 23 11 23 1 24 11 24 1 25 11 25 1