@MOLECULE (3s)-3-cyclohexyl-3-hydroxybutanoic acid 31 31 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.7887 1.7615 -0.8146 O.3 1 UNL1111111111 -0.5750 2 O 2.8481 -1.5126 0.3925 O.3 1 UNL1111111111 -0.5843 3 O 3.6276 0.5408 0.7352 O.2 1 UNL1111111111 -0.4912 4 C -1.0109 0.2063 -0.5299 C.3 1 UNL1111111111 -0.1622 5 C 0.5299 0.3830 -0.5904 C.3 1 UNL1111111111 0.3357 6 C -1.4232 -1.2481 -0.2573 C.3 1 UNL1111111111 -0.2709 7 C -1.6264 1.1330 0.5315 C.3 1 UNL1111111111 -0.2667 8 C -2.9534 -1.3725 -0.2740 C.3 1 UNL1111111111 -0.2635 9 C -3.1559 1.0184 0.5055 C.3 1 UNL1111111111 -0.2662 10 C -3.5867 -0.4323 0.7606 C.3 1 UNL1111111111 -0.2652 11 C 1.2169 0.1283 0.7689 C.3 1 UNL1111111111 -0.3844 12 C 1.1407 -0.4339 -1.7295 C.3 1 UNL1111111111 -0.5208 13 C 2.6721 -0.1781 0.6295 C.2 1 UNL1111111111 0.6598 14 H -1.4181 0.5055 -1.5276 H 1 UNL1111111111 0.1406 15 H -1.0336 -1.5872 0.7206 H 1 UNL1111111111 0.1390 16 H -0.9840 -1.9248 -1.0127 H 1 UNL1111111111 0.1356 17 H -1.3128 2.1789 0.3472 H 1 UNL1111111111 0.1506 18 H -1.2507 0.8759 1.5382 H 1 UNL1111111111 0.1369 19 H -3.2497 -2.4173 -0.0688 H 1 UNL1111111111 0.1305 20 H -3.3414 -1.1381 -1.2823 H 1 UNL1111111111 0.1344 21 H -3.5479 1.3650 -0.4682 H 1 UNL1111111111 0.1340 22 H -3.5991 1.6864 1.2662 H 1 UNL1111111111 0.1314 23 H -4.6879 -0.5143 0.7247 H 1 UNL1111111111 0.1290 24 H -3.2905 -0.7391 1.7809 H 1 UNL1111111111 0.1362 25 H 1.1036 1.0468 1.3964 H 1 UNL1111111111 0.2019 26 H 0.7018 -0.6950 1.3067 H 1 UNL1111111111 0.1850 27 H 1.2436 -1.4930 -1.4555 H 1 UNL1111111111 0.1762 28 H 0.5397 -0.3855 -2.6423 H 1 UNL1111111111 0.1517 29 H 2.1470 -0.0677 -1.9779 H 1 UNL1111111111 0.1702 30 H 0.5517 2.0314 -1.7198 H 1 UNL1111111111 0.3198 31 H 3.7936 -1.7789 0.3099 H 1 UNL1111111111 0.3517 @BOND 1 1 5 1 2 1 30 1 3 2 13 1 4 2 31 1 5 3 13 2 6 4 5 1 7 4 6 1 8 4 7 1 9 4 14 1 10 5 11 1 11 5 12 1 12 6 8 1 13 6 15 1 14 6 16 1 15 7 9 1 16 7 17 1 17 7 18 1 18 8 10 1 19 8 19 1 20 8 20 1 21 9 10 1 22 9 21 1 23 9 22 1 24 10 23 1 25 10 24 1 26 11 13 1 27 11 25 1 28 11 26 1 29 12 27 1 30 12 28 1 31 12 29 1