@MOLECULE (2r)-2-[(1r)-4-methyl-3-cyclohexen-1-yl]-1,2-propanediol 30 30 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6021 -0.2231 1.3945 O.3 1 UNL1111111111 -0.5657 2 O 3.6926 0.6749 -0.1950 O.3 1 UNL1111111111 -0.5587 3 C 0.0312 -0.1080 -0.3605 C.3 1 UNL1111111111 -0.1332 4 C 1.5339 -0.2483 -0.0172 C.3 1 UNL1111111111 0.2964 5 C -0.7735 -1.2594 0.2642 C.3 1 UNL1111111111 -0.2601 6 C -0.5387 1.2240 0.1629 C.3 1 UNL1111111111 -0.2723 7 C -2.2373 -1.1910 -0.1897 C.3 1 UNL1111111111 -0.2851 8 C -2.7997 0.1918 -0.0696 C.2 1 UNL1111111111 0.0268 9 C -2.0289 1.2760 0.0751 C.2 1 UNL1111111111 -0.2131 10 C 2.3480 0.9542 -0.5618 C.3 1 UNL1111111111 -0.0746 11 C 2.1344 -1.5586 -0.5324 C.3 1 UNL1111111111 -0.5019 12 C -4.2893 0.2794 -0.1341 C.3 1 UNL1111111111 -0.4604 13 H -0.0813 -0.1430 -1.4691 H 1 UNL1111111111 0.1384 14 H -0.7080 -1.1924 1.3693 H 1 UNL1111111111 0.1611 15 H -0.3415 -2.2383 -0.0067 H 1 UNL1111111111 0.1343 16 H -0.1013 2.0751 -0.3932 H 1 UNL1111111111 0.1312 17 H -0.2328 1.3585 1.2267 H 1 UNL1111111111 0.1706 18 H -2.8415 -1.9072 0.4023 H 1 UNL1111111111 0.1438 19 H -2.3219 -1.5270 -1.2443 H 1 UNL1111111111 0.1441 20 H -2.4525 2.2728 0.1583 H 1 UNL1111111111 0.1410 21 H 2.2833 1.0301 -1.6585 H 1 UNL1111111111 0.1235 22 H 2.0370 1.8997 -0.0874 H 1 UNL1111111111 0.1277 23 H 1.7777 -2.4103 0.0595 H 1 UNL1111111111 0.1604 24 H 1.8828 -1.7387 -1.5806 H 1 UNL1111111111 0.1506 25 H 3.2308 -1.5529 -0.4523 H 1 UNL1111111111 0.1707 26 H 2.5413 -0.2054 1.6785 H 1 UNL1111111111 0.3305 27 H -4.6899 -0.2716 -0.9955 H 1 UNL1111111111 0.1516 28 H -4.6484 1.3134 -0.2176 H 1 UNL1111111111 0.1507 29 H -4.7463 -0.1478 0.7705 H 1 UNL1111111111 0.1567 30 H 4.2555 1.4544 -0.3580 H 1 UNL1111111111 0.3150 @BOND 1 1 4 1 2 1 26 1 3 2 10 1 4 2 30 1 5 3 4 1 6 3 5 1 7 3 6 1 8 3 13 1 9 4 10 1 10 4 11 1 11 5 7 1 12 5 14 1 13 5 15 1 14 6 9 1 15 6 16 1 16 6 17 1 17 7 8 1 18 7 18 1 19 7 19 1 20 8 9 2 21 8 12 1 22 9 20 1 23 10 21 1 24 10 22 1 25 11 23 1 26 11 24 1 27 11 25 1 28 12 27 1 29 12 28 1 30 12 29 1