@MOLECULE (3r,4e,6r)-2-methyl-6-[(1s)-4-methyl-3-cyclohexen-1-yl]-4-heptene-2,3,6-triol 44 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7159 -2.7138 -0.7209 O.3 1 UNL1111111111 -0.5831 2 O 2.2415 2.2628 -0.0982 O.3 1 UNL1111111111 -0.5435 3 O 3.7548 0.4506 1.2620 O.3 1 UNL1111111111 -0.5906 4 C -1.9515 -0.8804 0.2173 C.3 1 UNL1111111111 -0.1533 5 C -0.5836 -1.6100 0.1763 C.3 1 UNL1111111111 0.3084 6 C -2.3445 -0.4019 -1.1888 C.3 1 UNL1111111111 -0.2688 7 C -1.9482 0.3237 1.1718 C.3 1 UNL1111111111 -0.2728 8 C -3.7812 0.1358 -1.1727 C.3 1 UNL1111111111 -0.2854 9 C -4.0273 1.0443 -0.0059 C.2 1 UNL1111111111 0.0292 10 C -3.2098 1.1156 1.0515 C.2 1 UNL1111111111 -0.2155 11 C 0.4998 -0.7872 -0.4625 C.2 1 UNL1111111111 -0.1810 12 C -0.1850 -2.1663 1.5468 C.3 1 UNL1111111111 -0.5015 13 C 1.2308 0.1244 0.1787 C.2 1 UNL1111111111 -0.1948 14 C 2.3063 0.9139 -0.5045 C.3 1 UNL1111111111 0.1215 15 C 3.7141 0.3404 -0.1533 C.3 1 UNL1111111111 0.2982 16 C -5.2707 1.8669 -0.1002 C.3 1 UNL1111111111 -0.4594 17 C 4.8179 1.2027 -0.7621 C.3 1 UNL1111111111 -0.5081 18 C 3.8531 -1.1257 -0.5534 C.3 1 UNL1111111111 -0.5112 19 H -2.7184 -1.6103 0.5726 H 1 UNL1111111111 0.1378 20 H -2.2453 -1.2262 -1.9193 H 1 UNL1111111111 0.1475 21 H -1.6482 0.3905 -1.5252 H 1 UNL1111111111 0.1499 22 H -1.0860 0.9898 0.9424 H 1 UNL1111111111 0.1621 23 H -1.8051 -0.0153 2.2161 H 1 UNL1111111111 0.1394 24 H -4.5007 -0.7084 -1.1343 H 1 UNL1111111111 0.1448 25 H -3.9908 0.6637 -2.1244 H 1 UNL1111111111 0.1452 26 H -3.4106 1.7798 1.8874 H 1 UNL1111111111 0.1432 27 H 0.6421 -1.0149 -1.5221 H 1 UNL1111111111 0.1679 28 H 0.6893 -2.8236 1.4489 H 1 UNL1111111111 0.1639 29 H -0.9910 -2.7503 2.0003 H 1 UNL1111111111 0.1480 30 H 0.0844 -1.3684 2.2473 H 1 UNL1111111111 0.1609 31 H 2.1710 0.9829 -1.6074 H 1 UNL1111111111 0.1499 32 H 1.1124 0.3549 1.2365 H 1 UNL1111111111 0.1631 33 H -1.3838 -3.3463 -0.4056 H 1 UNL1111111111 0.3157 34 H -5.4915 2.4073 0.8294 H 1 UNL1111111111 0.1512 35 H -6.1481 1.2470 -0.3287 H 1 UNL1111111111 0.1519 36 H -5.1836 2.6199 -0.8970 H 1 UNL1111111111 0.1564 37 H 5.8109 0.8986 -0.4195 H 1 UNL1111111111 0.1465 38 H 4.8116 1.1510 -1.8562 H 1 UNL1111111111 0.1585 39 H 4.6807 2.2597 -0.4890 H 1 UNL1111111111 0.1734 40 H 3.6679 -1.2742 -1.6224 H 1 UNL1111111111 0.1594 41 H 4.8512 -1.5153 -0.3319 H 1 UNL1111111111 0.1502 42 H 3.1300 -1.7491 -0.0065 H 1 UNL1111111111 0.1732 43 H 2.4955 2.3391 0.8490 H 1 UNL1111111111 0.3286 44 H 4.6201 0.1794 1.6141 H 1 UNL1111111111 0.3232 @BOND 1 1 5 1 2 1 33 1 3 2 14 1 4 2 43 1 5 3 15 1 6 3 44 1 7 4 5 1 8 4 6 1 9 4 7 1 10 4 19 1 11 5 11 1 12 5 12 1 13 6 8 1 14 6 20 1 15 6 21 1 16 7 10 1 17 7 22 1 18 7 23 1 19 8 9 1 20 8 24 1 21 8 25 1 22 9 10 2 23 9 16 1 24 10 26 1 25 11 13 2 26 11 27 1 27 12 28 1 28 12 29 1 29 12 30 1 30 13 14 1 31 13 32 1 32 14 15 1 33 14 31 1 34 15 17 1 35 15 18 1 36 16 34 1 37 16 35 1 38 16 36 1 39 17 37 1 40 17 38 1 41 17 39 1 42 18 40 1 43 18 41 1 44 18 42 1