@MOLECULE (2e)-2-(hydroxymethyl)-3-[(1s,6s)-3-(hydroxymethyl)-6-isopropyl-2-cyclohexen-1-yl]acrylic acid 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8548 1.8452 -0.6293 O.3 1 UNL111111111 -0.5343 2 O 3.0542 -0.4195 -1.8687 O.3 1 UNL111111111 -0.5386 3 O 4.3465 1.0429 0.0566 O.3 1 UNL111111111 -0.5846 4 O 3.1839 1.5417 1.8846 O.2 1 UNL111111111 -0.5039 5 C -0.9417 -1.1802 0.5331 C.3 1 UNL111111111 -0.1119 6 C -0.4063 0.1077 -0.1468 C.3 1 UNL111111111 -0.1478 7 C -2.3225 -1.4893 -0.0652 C.3 1 UNL111111111 -0.2748 8 C 0.0635 -2.3466 0.3930 C.3 1 UNL111111111 -0.0789 9 C -3.3088 -0.3718 0.2997 C.3 1 UNL111111111 -0.2826 10 C -1.4186 1.2137 -0.0795 C.2 1 UNL111111111 -0.2057 11 C -2.7244 0.9880 0.1013 C.2 1 UNL111111111 -0.0385 12 C -0.4035 -3.5527 1.2180 C.3 1 UNL111111111 -0.4538 13 C 0.3060 -2.7646 -1.0593 C.3 1 UNL111111111 -0.4564 14 C 0.8528 0.5483 0.5306 C.2 1 UNL111111111 -0.0172 15 C -3.7122 2.1187 0.1587 C.3 1 UNL111111111 -0.0247 16 C 2.0146 0.8023 -0.0908 C.2 1 UNL111111111 -0.2296 17 C 2.2578 0.7064 -1.5675 C.3 1 UNL111111111 0.0261 18 C 3.1698 1.1731 0.7381 C.2 1 UNL111111111 0.6495 19 H -1.0729 -0.9751 1.6252 H 1 UNL111111111 0.1415 20 H -0.2258 -0.1254 -1.2322 H 1 UNL111111111 0.1698 21 H -2.6969 -2.4608 0.3049 H 1 UNL111111111 0.1427 22 H -2.2520 -1.5909 -1.1638 H 1 UNL111111111 0.1428 23 H 1.0421 -1.9993 0.8164 H 1 UNL111111111 0.1364 24 H -3.6292 -0.4792 1.3589 H 1 UNL111111111 0.1548 25 H -4.2443 -0.4823 -0.2905 H 1 UNL111111111 0.1624 26 H -1.0152 2.2151 -0.2110 H 1 UNL111111111 0.1523 27 H -1.2947 -4.0194 0.7858 H 1 UNL111111111 0.1440 28 H 0.3759 -4.3224 1.2602 H 1 UNL111111111 0.1467 29 H -0.6413 -3.2701 2.2486 H 1 UNL111111111 0.1418 30 H -0.6238 -3.0040 -1.5818 H 1 UNL111111111 0.1405 31 H 0.9483 -3.6521 -1.1099 H 1 UNL111111111 0.1486 32 H 0.8235 -1.9766 -1.6235 H 1 UNL111111111 0.1572 33 H 0.7661 0.6559 1.6213 H 1 UNL111111111 0.1702 34 H -3.2870 3.0874 -0.1632 H 1 UNL111111111 0.1239 35 H -4.1385 2.2357 1.1772 H 1 UNL111111111 0.1536 36 H 2.7542 1.6182 -1.9576 H 1 UNL111111111 0.1318 37 H 1.3355 0.5228 -2.1541 H 1 UNL111111111 0.1427 38 H -4.5949 1.6666 -1.5556 H 1 UNL111111111 0.3119 39 H 3.9128 -0.3509 -1.3956 H 1 UNL111111111 0.3307 40 H 5.1401 1.2754 0.5969 H 1 UNL111111111 0.3614 @BOND 1 1 15 1 2 1 38 1 3 2 17 1 4 2 39 1 5 3 18 1 6 3 40 1 7 4 18 2 8 5 6 1 9 5 7 1 10 5 8 1 11 5 19 1 12 6 10 1 13 6 14 1 14 6 20 1 15 7 9 1 16 7 21 1 17 7 22 1 18 8 12 1 19 8 13 1 20 8 23 1 21 9 11 1 22 9 24 1 23 9 25 1 24 10 11 2 25 10 26 1 26 11 15 1 27 12 27 1 28 12 28 1 29 12 29 1 30 13 30 1 31 13 31 1 32 13 32 1 33 14 16 2 34 14 33 1 35 15 34 1 36 15 35 1 37 16 17 1 38 16 18 1 39 17 36 1 40 17 37 1