@MOLECULE (3e)-4-[(1s,4s,6r)-1,4-dihydroxy-2,2,6-trimethylcyclohexyl]-3-buten-2-one 38 38 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.0850 -0.4091 1.5169 O.3 1 UNL1111111111 -0.5583 2 O 4.4038 -0.1049 0.1789 O.3 1 UNL1111111111 -0.5598 3 O -3.8891 0.1228 -1.2860 O.2 1 UNL1111111111 -0.4737 4 C 0.8764 1.2272 -0.0840 C.3 1 UNL1111111111 0.0603 5 C 0.1652 -0.1520 0.1257 C.3 1 UNL1111111111 0.2387 6 C 0.9239 -1.3172 -0.5676 C.3 1 UNL1111111111 -0.1316 7 C 2.3381 1.1163 0.3881 C.3 1 UNL1111111111 -0.3649 8 C 2.3754 -1.3812 -0.0769 C.3 1 UNL1111111111 -0.3519 9 C 3.0786 -0.0365 -0.3005 C.3 1 UNL1111111111 0.1631 10 C 0.8260 1.6540 -1.5557 C.3 1 UNL1111111111 -0.4668 11 C 0.1638 2.2867 0.7677 C.3 1 UNL1111111111 -0.4604 12 C 0.2167 -2.6433 -0.2846 C.3 1 UNL1111111111 -0.4484 13 C -1.2565 -0.0988 -0.3614 C.2 1 UNL1111111111 -0.0692 14 C -2.3170 -0.0718 0.4522 C.2 1 UNL1111111111 -0.3057 15 C -3.6837 -0.0113 -0.1012 C.2 1 UNL1111111111 0.4952 16 C -4.8138 -0.1218 0.8800 C.3 1 UNL1111111111 -0.5456 17 H 0.9224 -1.1335 -1.6695 H 1 UNL1111111111 0.1465 18 H 2.3789 0.9971 1.4859 H 1 UNL1111111111 0.1416 19 H 2.8740 2.0648 0.1855 H 1 UNL1111111111 0.1632 20 H 2.4198 -1.6745 0.9870 H 1 UNL1111111111 0.1413 21 H 2.9255 -2.1782 -0.6158 H 1 UNL1111111111 0.1616 22 H 3.2419 0.1669 -1.3843 H 1 UNL1111111111 0.1465 23 H -0.2013 1.8540 -1.8850 H 1 UNL1111111111 0.1571 24 H 1.2473 0.8980 -2.2256 H 1 UNL1111111111 0.1465 25 H 1.3941 2.5792 -1.7139 H 1 UNL1111111111 0.1549 26 H 0.0983 1.9790 1.8192 H 1 UNL1111111111 0.1585 27 H -0.8652 2.4504 0.4247 H 1 UNL1111111111 0.1556 28 H 0.6820 3.2496 0.7290 H 1 UNL1111111111 0.1458 29 H -0.7770 -2.6757 -0.7488 H 1 UNL1111111111 0.1526 30 H 0.7869 -3.4956 -0.6681 H 1 UNL1111111111 0.1455 31 H 0.0673 -2.7947 0.7929 H 1 UNL1111111111 0.1597 32 H -1.3699 -0.0809 -1.4504 H 1 UNL1111111111 0.1675 33 H 0.9781 -0.5203 1.8967 H 1 UNL1111111111 0.3167 34 H 4.4364 -0.2883 1.1355 H 1 UNL1111111111 0.3113 35 H -2.2220 -0.0966 1.5373 H 1 UNL1111111111 0.1832 36 H -5.7896 -0.0799 0.3740 H 1 UNL1111111111 0.1773 37 H -4.7862 0.6944 1.6138 H 1 UNL1111111111 0.1728 38 H -4.7686 -1.0682 1.4351 H 1 UNL1111111111 0.1733 @BOND 1 1 5 1 2 1 33 1 3 2 9 1 4 2 34 1 5 3 15 2 6 4 5 1 7 4 7 1 8 4 10 1 9 4 11 1 10 5 6 1 11 5 13 1 12 6 8 1 13 6 12 1 14 6 17 1 15 7 9 1 16 7 18 1 17 7 19 1 18 8 9 1 19 8 20 1 20 8 21 1 21 9 22 1 22 10 23 1 23 10 24 1 24 10 25 1 25 11 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 30 12 31 1 31 13 14 2 32 13 32 1 33 14 15 1 34 14 35 1 35 15 16 1 36 16 36 1 37 16 37 1 38 16 38 1